5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile

C13H9F2N3 — CID 82818919

IUPAC5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(F)c(Nc2ccc(C#N)nc2)c1F
InChIInChI=1S/C13H9F2N3/c1-8-2-5-11(14)13(12(8)15)18-10-4-3-9(6-16)17-7-10/h2-5,7,18H,1H3
InChIKeyREPXSPRRGBOAHN-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.28
Rot. Bonds2

About 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile

5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile (PubChem CID 82818919) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
PubChem CID82818919
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(F)c(Nc2ccc(C#N)nc2)c1F
InChIInChI=1S/C13H9F2N3/c1-8-2-5-11(14)13(12(8)15)18-10-4-3-9(6-16)17-7-10/h2-5,7,18H,1H3
InChIKeyREPXSPRRGBOAHN-UHFFFAOYSA-N
XLogP3.28
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
3-bromo-5-(2,6-difluoro-3-methylanilino)benzonitrile
CID 102817083
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile (CID 82818919) is 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile is Cc1ccc(F)c(Nc2ccc(C#N)nc2)c1F.
What is the InChIKey of 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
The InChIKey is REPXSPRRGBOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c1-8-2-5-11(14)13(12(8)15)18-10-4-3-9(6-16)17-7-10/h2-5,7,18H,1H3.
What are the key properties of 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 82818919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).