2-(3,5-difluoroanilino)pyridine-3-carbonitrile

C12H7F2N3 — CID 24703722

IUPAC2-(3,5-difluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H7F2N3/c13-9-4-10(14)6-11(5-9)17-12-8(7-15)2-1-3-16-12/h1-6H,(H,16,17)
InChIKeyKKQNVJUVRHATNP-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.98
Rot. Bonds2

About 2-(3,5-difluoroanilino)pyridine-3-carbonitrile

2-(3,5-difluoroanilino)pyridine-3-carbonitrile (PubChem CID 24703722) has the molecular formula C12H7F2N3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)pyridine-3-carbonitrile
PubChem CID24703722
Molecular FormulaC12H7F2N3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-(3,5-difluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H7F2N3/c13-9-4-10(14)6-11(5-9)17-12-8(7-15)2-1-3-16-12/h1-6H,(H,16,17)
InChIKeyKKQNVJUVRHATNP-UHFFFAOYSA-N
XLogP2.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
2-(2,6-dibromoanilino)pyridine-3-carbonitrile
CID 107600351
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
CID 24693520
2-(4-butan-2-ylanilino)pyridine-3-carbonitrile
CID 11842297
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
2-fluoropyridine-3-carbonitrile
CID 2783254
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-difluoroanilino)pyridine-3-carbonitrile (CID 24703722) is 2-(3,5-difluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-difluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-difluoroanilino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)pyridine-3-carbonitrile?
The InChIKey is KKQNVJUVRHATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3/c13-9-4-10(14)6-11(5-9)17-12-8(7-15)2-1-3-16-12/h1-6H,(H,16,17).
What are the key properties of 2-(3,5-difluoroanilino)pyridine-3-carbonitrile?
2-(3,5-difluoroanilino)pyridine-3-carbonitrile has a molecular weight of 231.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 24703722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).