2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile

C13H9Cl2N3 — CID 114765804

IUPAC2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H9Cl2N3/c1-8-5-9(7-16)6-12(17-8)18-11-4-2-3-10(14)13(11)15/h2-6H,1H3,(H,17,18)
InChIKeyGIJCTNFXRHVQTK-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.31
Rot. Bonds2

About 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile

2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114765804) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114765804
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H9Cl2N3/c1-8-5-9(7-16)6-12(17-8)18-11-4-2-3-10(14)13(11)15/h2-6H,1H3,(H,17,18)
InChIKeyGIJCTNFXRHVQTK-UHFFFAOYSA-N
XLogP4.31
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383586
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile (CID 114765804) is 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is GIJCTNFXRHVQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-8-5-9(7-16)6-12(17-8)18-11-4-2-3-10(14)13(11)15/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile?
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 278.14 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).