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1060810-06-1 molecular structure
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(4-chloro-6-methylpyridin-3-yl)methanamine

ChemBase ID: 813677
Molecular Formular: C7H9ClN2
Molecular Mass: 156.61276
Monoisotopic Mass: 156.04542598
SMILES and InChIs

SMILES:
C(N)c1cnc(cc1Cl)C
Canonical SMILES:
Cc1cc(Cl)c(cn1)CN
InChI:
InChI=1S/C7H9ClN2/c1-5-2-7(8)6(3-9)4-10-5/h2,4H,3,9H2,1H3
InChIKey:
RJSKJIXNPPEODQ-UHFFFAOYSA-N

Cite this record

CBID:813677 http://www.chembase.cn/molecule-813677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chloro-6-methylpyridin-3-yl)methanamine
IUPAC Traditional name
(4-chloro-6-methylpyridin-3-yl)methanamine
Synonyms
(4-chloro-6-methylpyridin-3-yl)methanamine
CAS Number
1060810-06-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35753 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35753 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2725854  LogD (pH = 7.4) -0.91737586 
Log P 0.6167567  Molar Refractivity 41.7708 cm3
Polarizability 16.43102 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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