2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile

C13H10FN3 — CID 28968597

IUPAC2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(F)c(Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C13H10FN3/c1-9-2-3-11(14)12(6-9)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,16,17)
InChIKeyGXXHTQOPSCKKEM-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.14
Rot. Bonds2

About 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile

2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile (PubChem CID 28968597) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
PubChem CID28968597
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(F)c(Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C13H10FN3/c1-9-2-3-11(14)12(6-9)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,16,17)
InChIKeyGXXHTQOPSCKKEM-UHFFFAOYSA-N
XLogP3.14
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
CID 24706091
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
CID 114252744
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 61175928
2-anilinopyridine-4-carbonitrile
CID 24696970
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile (CID 28968597) is 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile is Cc1ccc(F)c(Nc2cc(C#N)ccn2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile?
The InChIKey is GXXHTQOPSCKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-2-3-11(14)12(6-9)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile?
2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 28968597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).