2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile

C14H11BrFN3 — CID 114766691

IUPAC2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cc(F)c(Br)cc2C)n1
InChIInChI=1S/C14H11BrFN3/c1-8-3-11(15)12(16)6-13(8)19-14-5-10(7-17)4-9(2)18-14/h3-6H,1-2H3,(H,18,19)
InChIKeyGITVXZXCBYCJHE-UHFFFAOYSA-N
MW320.17 g/mol
LogP4.22
Rot. Bonds2

About 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile

2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114766691) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114766691
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cc(F)c(Br)cc2C)n1
InChIInChI=1S/C14H11BrFN3/c1-8-3-11(15)12(16)6-13(8)19-14-5-10(7-17)4-9(2)18-14/h3-6H,1-2H3,(H,18,19)
InChIKeyGITVXZXCBYCJHE-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-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile
CID 107644839
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile
CID 114902260
2-(4-bromo-5-fluoro-2-methylanilino)-5-methylbenzonitrile
CID 107927887
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
N-(4-bromo-5-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106582300
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile (CID 114766691) is 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2cc(F)c(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is GITVXZXCBYCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c1-8-3-11(15)12(16)6-13(8)19-14-5-10(7-17)4-9(2)18-14/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile?
2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-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-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).