3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile

C13H10FN3 — CID 113269395

IUPAC3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
SMILESCc1cc(F)cc(Nc2cnccc2C#N)c1
InChIInChI=1S/C13H10FN3/c1-9-4-11(14)6-12(5-9)17-13-8-16-3-2-10(13)7-15/h2-6,8,17H,1H3
InChIKeyDENPLQWZCVHFKI-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.14
Rot. Bonds2

About 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile

3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile (PubChem CID 113269395) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
PubChem CID113269395
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
SMILESCc1cc(F)cc(Nc2cnccc2C#N)c1
InChIInChI=1S/C13H10FN3/c1-9-4-11(14)6-12(5-9)17-13-8-16-3-2-10(13)7-15/h2-6,8,17H,1H3
InChIKeyDENPLQWZCVHFKI-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

ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
4-chloro-2-(3-fluoro-5-methylanilino)benzonitrile
CID 79049328
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 113269401
3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 114287727
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
CID 102816923
3-(2-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile (CID 113269395) is 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile is Cc1cc(F)cc(Nc2cnccc2C#N)c1.
What is the InChIKey of 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile?
The InChIKey is DENPLQWZCVHFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-4-11(14)6-12(5-9)17-13-8-16-3-2-10(13)7-15/h2-6,8,17H,1H3.
What are the key properties of 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile?
3-(3-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 3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 113269395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).