2-chloro-5,6-dimethylpyridine-3-carbonitrile

C8H7ClN2 — CID 12891106

IUPAC2-chloro-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(Cl)nc1C
InChIInChI=1S/C8H7ClN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3
InChIKeyBYVPJDZJIHOUHA-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.22
Rot. Bonds

About 2-chloro-5,6-dimethylpyridine-3-carbonitrile

2-chloro-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 12891106) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-chloro-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5,6-dimethylpyridine-3-carbonitrile
PubChem CID12891106
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name2-chloro-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(Cl)nc1C
InChIInChI=1S/C8H7ClN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3
InChIKeyBYVPJDZJIHOUHA-UHFFFAOYSA-N
XLogP2.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
CID 223261
3-Cyano-2,6-dichloro-4-methylpyridine
CID 70131
2-chloro-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CID 938533
2-Chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile
CID 366010
2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile
CID 2764123
3-Chloro-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3730186
Pyridinitril
CID 14146
2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile
CID 334852
2-Chloro-6-methylpyridine-3-carbonitrile
CID 520400
2-Chloro-4,6-dimethylpyridin-3-amine
CID 10511120
6-((4-Chloro-2-fluorophenyl)(cyano)methyl) picolinonitrile (30)
CID 56604870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5,6-dimethylpyridine-3-carbonitrile (CID 12891106) is 2-chloro-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5,6-dimethylpyridine-3-carbonitrile is Cc1cc(C#N)c(Cl)nc1C.
What is the InChIKey of 2-chloro-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is BYVPJDZJIHOUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3.
What are the key properties of 2-chloro-5,6-dimethylpyridine-3-carbonitrile?
2-chloro-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 166.61 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 12891106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).