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162104832 molecular structure
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(5-chloro-3-methylpyridin-2-yl)methanamine hydrochloride

ChemBase ID: 90481
Molecular Formular: C7H10Cl2N2
Molecular Mass: 193.0737
Monoisotopic Mass: 192.02210369
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Cl)C)CN.Cl
Canonical SMILES:
NCc1ncc(cc1C)Cl.Cl
InChI:
InChI=1S/C7H9ClN2.ClH/c1-5-2-6(8)4-10-7(5)3-9;/h2,4H,3,9H2,1H3;1H
InChIKey:
KCHDELNMWQMQBU-UHFFFAOYSA-N

Cite this record

CBID:90481 http://www.chembase.cn/molecule-90481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-chloro-3-methylpyridin-2-yl)methanamine hydrochloride
IUPAC Traditional name
(5-chloro-3-methylpyridin-2-yl)methanamine hydrochloride
Synonyms
(5-Chloro-3-methylpyridin-2-yl)methylamine hydrochloride
2-(Aminomethyl)-5-chloro-3-methylpyridine hydrochloride
PubChem SID
162104832
PubChem CID
53395585

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR60152 external link Add to cart Please log in.
Data Source Data ID
PubChem 53395585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6402932  LogD (pH = 7.4) -0.056610983 
Log P 1.0802798  Molar Refractivity 41.6983 cm3
Polarizability 16.44004 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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