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867012-70-2 molecular structure
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6-methoxy-5-methylpyridin-3-amine

ChemBase ID: 69554
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
c1c(cc(c(n1)OC)C)N
Canonical SMILES:
COc1ncc(cc1C)N
InChI:
InChI=1S/C7H10N2O/c1-5-3-6(8)4-9-7(5)10-2/h3-4H,8H2,1-2H3
InChIKey:
RFEMLHVKBYMWAM-UHFFFAOYSA-N

Cite this record

CBID:69554 http://www.chembase.cn/molecule-69554.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-5-methylpyridin-3-amine
IUPAC Traditional name
6-methoxy-5-methylpyridin-3-amine
Synonyms
3-Amino-6-methoxy-5-methyl-pyridine
6-Methoxy-5-methylpyridin-3-amine
6-METHOXY-5-METHYL-PYRIDIN-3-YLAMINE
6-methoxy-5-methylpyridin-3-ylamine
CAS Number
867012-70-2
MDL Number
MFCD04972417
PubChem SID
162035280
PubChem CID
40786903

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8644803  LogD (pH = 7.4) 0.87669694 
Log P 0.8768551  Molar Refractivity 40.4194 cm3
Polarizability 14.857481 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
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
97% 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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