4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride

C7H6Cl2N2 — CID 141028452

IUPAC4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
SMILESCc1c(Cl)ccnc1C#N.Cl
InChIInChI=1S/C7H5ClN2.ClH/c1-5-6(8)2-3-10-7(5)4-9;/h2-3H,1H3;1H
InChIKeyWEUWNBKLFYVBQR-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.34
Rot. Bonds

About 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride

4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride (PubChem CID 141028452) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
PubChem CID141028452
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
SMILESCc1c(Cl)ccnc1C#N.Cl
InChIInChI=1S/C7H5ClN2.ClH/c1-5-6(8)2-3-10-7(5)4-9;/h2-3H,1H3;1H
InChIKeyWEUWNBKLFYVBQR-UHFFFAOYSA-N
XLogP2.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethylpyridine-2-carbonitrile
CID 23003409
4-chloro-3-hydroxypyridine-2-carbonitrile
CID 130837538
4-bromo-3-methylpyridine-2-carbonitrile
CID 55253016
4-chloro-3-fluoropyridine-2-carbonitrile
CID 59529765
4-ethoxy-3-methylpyridine-2-carbonitrile
CID 55253072
4-chloro-2-iodo-3-methylpyridine
CID 118845264
ethane;3-fluoro-4-methylpyridine-2-carbonitrile
CID 156725109
2-chloro-3-methylpyridine-4-carbonitrile
CID 58188815
methyl 2-cyano-3-methylpyridine-4-carboxylate
CID 59565228
3,4-diethylpyridine-2-carbonitrile
CID 139882541
3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
ethyl 2-(2-cyano-3-methyl-4-pyridinyl)acetate
CID 133097445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride (CID 141028452) is 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride is Cc1c(Cl)ccnc1C#N.Cl.
What is the InChIKey of 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride?
The InChIKey is WEUWNBKLFYVBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2.ClH/c1-5-6(8)2-3-10-7(5)4-9;/h2-3H,1H3;1H.
What are the key properties of 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride?
4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride has a molecular weight of 189.05 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 141028452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).