2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile

C14H11F2N3 — CID 62227755

IUPAC2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C14H11F2N3/c1-9-2-3-10(7-17)14(19-9)18-8-11-4-5-12(15)6-13(11)16/h2-6H,8H2,1H3,(H,18,19)
InChIKeyYVXFLDBUTAUNAM-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.15
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile

2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile (PubChem CID 62227755) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
PubChem CID62227755
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C14H11F2N3/c1-9-2-3-10(7-17)14(19-9)18-8-11-4-5-12(15)6-13(11)16/h2-6H,8H2,1H3,(H,18,19)
InChIKeyYVXFLDBUTAUNAM-UHFFFAOYSA-N
XLogP3.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62050418
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 65418398
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873619
2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544298
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile
CID 165419826

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile (CID 62227755) is 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The InChIKey is YVXFLDBUTAUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-9-2-3-10(7-17)14(19-9)18-8-11-4-5-12(15)6-13(11)16/h2-6H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62227755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).