2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile

C14H11Cl2N3 — CID 784964

IUPAC2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19)
InChIKeyRCBOMXPITRCVIF-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.62
Rot. Bonds2

About 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile

2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 784964) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID784964
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19)
InChIKeyRCBOMXPITRCVIF-UHFFFAOYSA-N
XLogP4.62
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 706821
2-Amino-4-(2-chlorophenyl)-6-cyclopropylnicotinonitrile
CID 622734
2-((3-Chlorophenyl)amino)nicotinonitrile
CID 852634
4-[[2-Amino-6-[(2,6-dichlorophenyl)methyl]pyrimidin-4-yl]amino]benzonitrile
CID 486364
4,6-Dimethyl-2-phenylamino-nicotinonitrile
CID 750145
4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile
CID 750147
N-(2,3-dichlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea
CID 970728
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenylamino)nicotinonitrile
CID 44440993
N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 740896
2-Pyridinamine, 5-(4-chlorophenyl)-4,6-dimethyl-
CID 158449
2-[(2-Chlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 661313

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 784964) is 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RCBOMXPITRCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 292.17 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 784964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).