2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile

C14H9FN4 — CID 82016543

IUPAC2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C14H9FN4/c1-9-2-3-10(7-16)14(18-9)19-13-5-4-12(15)6-11(13)8-17/h2-6H,1H3,(H,18,19)
InChIKeyNNZHMVJWLKDMRE-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.02
Rot. Bonds2

About 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile

2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile (PubChem CID 82016543) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
PubChem CID82016543
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C14H9FN4/c1-9-2-3-10(7-16)14(18-9)19-13-5-4-12(15)6-11(13)8-17/h2-6H,1H3,(H,18,19)
InChIKeyNNZHMVJWLKDMRE-UHFFFAOYSA-N
XLogP3.02
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile
CID 63037715
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 66476214
2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702336
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
2-(4-bromo-2,6-dimethylanilino)-5-fluorobenzonitrile
CID 65468036
2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile
CID 114839862
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile (CID 82016543) is 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Nc2ccc(F)cc2C#N)n1.
What is the InChIKey of 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile?
The InChIKey is NNZHMVJWLKDMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c1-9-2-3-10(7-16)14(18-9)19-13-5-4-12(15)6-11(13)8-17/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile?
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile has a molecular weight of 252.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82016543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).