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88579-63-9 molecular structure
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(2,6-dichloropyridin-4-yl)methanamine

ChemBase ID: 92531
Molecular Formular: C6H6Cl2N2
Molecular Mass: 177.03124
Monoisotopic Mass: 175.99080356
SMILES and InChIs

SMILES:
n1c(cc(cc1Cl)CN)Cl
Canonical SMILES:
NCc1cc(Cl)nc(c1)Cl
InChI:
InChI=1S/C6H6Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H,3,9H2
InChIKey:
LCVQJXXKYFOSGH-UHFFFAOYSA-N

Cite this record

CBID:92531 http://www.chembase.cn/molecule-92531.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,6-dichloropyridin-4-yl)methanamine
IUPAC Traditional name
(2,6-dichloropyridin-4-yl)methanamine
Synonyms
2,6-Dichloropyridine-4-methylamine
4-(Aminomethyl)-2,6-dichloropyridine 95%
CAS Number
88579-63-9
MDL Number
MFCD06212867
PubChem SID
162079229
PubChem CID
11423886

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR9190 external link Add to cart Please log in.
Data Source Data ID
PubChem 11423886 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3938692  LogD (pH = 7.4) -0.13588612 
Log P 1.5297855  Molar Refractivity 44.1067 cm3
Polarizability 16.701834 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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