ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile

C15H16FN3 — CID 176938978

IUPACethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
SMILESCC.Cc1ccc(Nc2cnccc2C#N)c(F)c1
InChIInChI=1S/C13H10FN3.C2H6/c1-9-2-3-12(11(14)6-9)17-13-8-16-5-4-10(13)7-15;1-2/h2-6,8,17H,1H3;1-2H3
InChIKeyNHJPIXJBFJATSV-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.17
Rot. Bonds2

About ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile

ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile (PubChem CID 176938978) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Nameethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
PubChem CID176938978
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Nameethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
SMILESCC.Cc1ccc(Nc2cnccc2C#N)c(F)c1
InChIInChI=1S/C13H10FN3.C2H6/c1-9-2-3-12(11(14)6-9)17-13-8-16-5-4-10(13)7-15;1-2/h2-6,8,17H,1H3;1-2H3
InChIKeyNHJPIXJBFJATSV-UHFFFAOYSA-N
XLogP4.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 113269395
3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 113269401
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-(2-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 63512256
2-(4-bromo-2,5-difluoroanilino)-4-methylbenzonitrile
CID 107612099
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile (CID 176938978) is ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile is CC.Cc1ccc(Nc2cnccc2C#N)c(F)c1.
What is the InChIKey of ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile?
The InChIKey is NHJPIXJBFJATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3.C2H6/c1-9-2-3-12(11(14)6-9)17-13-8-16-5-4-10(13)7-15;1-2/h2-6,8,17H,1H3;1-2H3.
What are the key properties of ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile?
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile has a molecular weight of 257.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 176938978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).