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

C13H9BrFN3 — CID 114766617

IUPAC2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H9BrFN3/c1-8-4-9(7-16)5-13(17-8)18-10-2-3-12(15)11(14)6-10/h2-6H,1H3,(H,17,18)
InChIKeyJASKQGGVFLARBJ-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.91
Rot. Bonds2

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

2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114766617) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114766617
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H9BrFN3/c1-8-4-9(7-16)5-13(17-8)18-10-2-3-12(15)11(14)6-10/h2-6H,1H3,(H,17,18)
InChIKeyJASKQGGVFLARBJ-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766691
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
4-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932339
2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile
CID 107644839
5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
CID 114765404
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
3-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932328
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
3-[[4-(3-chloro-4-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112930175

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile (CID 114766617) is 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is JASKQGGVFLARBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-8-4-9(7-16)5-13(17-8)18-10-2-3-12(15)11(14)6-10/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile?
2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 306.14 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).