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21901-29-1 molecular structure
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6-methyl-3-nitropyridin-2-amine

ChemBase ID: 67349
Molecular Formular: C6H7N3O2
Molecular Mass: 153.13868
Monoisotopic Mass: 153.05382648
SMILES and InChIs

SMILES:
c1(c(ccc(n1)C)[N+](=O)[O-])N
Canonical SMILES:
[O-][N+](=O)c1ccc(nc1N)C
InChI:
InChI=1S/C6H7N3O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3,(H2,7,8)
InChIKey:
LCJXSRQGDONHRK-UHFFFAOYSA-N

Cite this record

CBID:67349 http://www.chembase.cn/molecule-67349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-3-nitropyridin-2-amine
IUPAC Traditional name
6-methyl-3-nitropyridin-2-amine
Synonyms
2-Amino-6-methyl-3-nitropyridine 95%
2-Amino-3-nitro-6-picoline
6-Methyl-3-nitro-pyridin-2-ylamine
6-methyl-3-nitropyridin-2-amine
2-AMINO-6-METHYL-3-NITROPYRIDINE
CAS Number
21901-29-1
MDL Number
MFCD00047443
PubChem SID
162033084
PubChem CID
226028

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.256609  H Acceptors
H Donor LogD (pH = 5.5) 1.2410464 
LogD (pH = 7.4) 1.2424415  Log P 1.2424593 
Molar Refractivity 39.827 cm3 Polarizability 14.276094 Å3
Polar Surface Area 82.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
149 - 151°C expand Show data source
Hydrophobicity(logP)
1.364 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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