6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile

C8H8ClN3 — CID 58106161

IUPAC6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
SMILESCc1cc(CN)nc(Cl)c1C#N
InChIInChI=1S/C8H8ClN3/c1-5-2-6(3-10)12-8(9)7(5)4-11/h2H,3,10H2,1H3
InChIKeyLJYPBADWJSFDGY-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.37
Rot. Bonds1

About 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile

6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile (PubChem CID 58106161) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
PubChem CID58106161
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
SMILESCc1cc(CN)nc(Cl)c1C#N
InChIInChI=1S/C8H8ClN3/c1-5-2-6(3-10)12-8(9)7(5)4-11/h2H,3,10H2,1H3
InChIKeyLJYPBADWJSFDGY-UHFFFAOYSA-N
XLogP1.37
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-ethylhydrazinyl)-4-methylpyridine-3-carbonitrile
CID 142756409
6-ethyl-2,4-dimethylpyridine-3-carbonitrile
CID 88990253
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)
CID 15978262
2-(aminomethyl)-6-chloro-4-methylbenzonitrile
CID 171015696
6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile
CID 67467633
2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile
CID 11983604
N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide
CID 16763454
(4-chloro-6-methyl-2-pyridinyl)methanamine
CID 55253198
(6,8-dichloro-4-methylquinolin-2-yl)methanamine
CID 82573654

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile (CID 58106161) is 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile is Cc1cc(CN)nc(Cl)c1C#N.
What is the InChIKey of 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile?
The InChIKey is LJYPBADWJSFDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-2-6(3-10)12-8(9)7(5)4-11/h2H,3,10H2,1H3.
What are the key properties of 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile?
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile has a molecular weight of 181.63 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 58106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).