6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile

C14H12ClN3 — CID 82120847

IUPAC6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(Nc2ccc(C#N)cn2)c(Cl)c1
InChIInChI=1S/C14H12ClN3/c1-9-5-10(2)14(12(15)6-9)18-13-4-3-11(7-16)8-17-13/h3-6,8H,1-2H3,(H,17,18)
InChIKeyZXRWGLSGWVSSCO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.97
Rot. Bonds2

About 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile

6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile (PubChem CID 82120847) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
PubChem CID82120847
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(Nc2ccc(C#N)cn2)c(Cl)c1
InChIInChI=1S/C14H12ClN3/c1-9-5-10(2)14(12(15)6-9)18-13-4-3-11(7-16)8-17-13/h3-6,8H,1-2H3,(H,17,18)
InChIKeyZXRWGLSGWVSSCO-UHFFFAOYSA-N
XLogP3.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-dichloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 83078578
6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 83087105
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532
6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
CID 143918294
6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
CID 24697637
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109154641
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152635

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile (CID 82120847) is 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile is Cc1cc(C)c(Nc2ccc(C#N)cn2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
The InChIKey is ZXRWGLSGWVSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-5-10(2)14(12(15)6-9)18-13-4-3-11(7-16)8-17-13/h3-6,8H,1-2H3,(H,17,18).
What are the key properties of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 82120847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).