6-chloro-2-(dimethylamino)pyridine-3-carbonitrile

C8H8ClN3 — CID 178072823

IUPAC6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1nc(Cl)ccc1C#N
InChIInChI=1S/C8H8ClN3/c1-12(2)8-6(5-10)3-4-7(9)11-8/h3-4H,1-2H3
InChIKeyPLLKIRCTBVUXDB-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.67
Rot. Bonds1

About 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile

6-chloro-2-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 178072823) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
PubChem CID178072823
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1nc(Cl)ccc1C#N
InChIInChI=1S/C8H8ClN3/c1-12(2)8-6(5-10)3-4-7(9)11-8/h3-4H,1-2H3
InChIKeyPLLKIRCTBVUXDB-UHFFFAOYSA-N
XLogP1.67
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 82119527
6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile
CID 141332533
2-(dimethylamino)-6-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 82119532
N-(6-chloro-3-cyano-2-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 71616693
6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine
CID 141454403
2-(dimethylamino)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 82122654
6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile
CID 175783910
2-(dimethylamino)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
CID 94280993
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 91428194
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
CID 130775319
6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile
CID 131970588
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile (CID 178072823) is 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile is CN(C)c1nc(Cl)ccc1C#N.
What is the InChIKey of 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is PLLKIRCTBVUXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12(2)8-6(5-10)3-4-7(9)11-8/h3-4H,1-2H3.
What are the key properties of 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile?
6-chloro-2-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 181.63 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 178072823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).