2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile

C14H11BrFN3 — CID 107635298

IUPAC2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C14H11BrFN3/c1-8-5-9(2)18-14(11(8)7-17)19-13-6-10(16)3-4-12(13)15/h3-6H,1-2H3,(H,18,19)
InChIKeyDSWGXBIUPTYTEM-UHFFFAOYSA-N
MW320.17 g/mol
LogP4.22
Rot. Bonds2

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

2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 107635298) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID107635298
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C14H11BrFN3/c1-8-5-9(2)18-14(11(8)7-17)19-13-6-10(16)3-4-12(13)15/h3-6H,1-2H3,(H,18,19)
InChIKeyDSWGXBIUPTYTEM-UHFFFAOYSA-N
XLogP4.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 706821
2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 61175928
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 750176
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 784964
2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 55195359
4,6-dimethyl-2-(4-propan-2-ylanilino)pyridine-3-carbonitrile
CID 60710577
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 61175143
2-(3-iodoanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 63511438

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 107635298) is 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2cc(F)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DSWGXBIUPTYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c1-8-5-9(2)18-14(11(8)7-17)19-13-6-10(16)3-4-12(13)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 320.17 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107635298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).