6-(3,5-difluoroanilino)pyridine-2-carbonitrile

C12H7F2N3 — CID 64595862

IUPAC6-(3,5-difluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H7F2N3/c13-8-4-9(14)6-11(5-8)17-12-3-1-2-10(7-15)16-12/h1-6H,(H,16,17)
InChIKeyVYGKKHNINPCKFQ-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.98
Rot. Bonds2

About 6-(3,5-difluoroanilino)pyridine-2-carbonitrile

6-(3,5-difluoroanilino)pyridine-2-carbonitrile (PubChem CID 64595862) has the molecular formula C12H7F2N3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)pyridine-2-carbonitrile
PubChem CID64595862
Molecular FormulaC12H7F2N3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(3,5-difluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H7F2N3/c13-8-4-9(14)6-11(5-8)17-12-3-1-2-10(7-15)16-12/h1-6H,(H,16,17)
InChIKeyVYGKKHNINPCKFQ-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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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3,5-difluoroanilino)pyridine-2-carbonitrile (CID 64595862) is 6-(3,5-difluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3,5-difluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3,5-difluoroanilino)pyridine-2-carbonitrile is N#Cc1cccc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 6-(3,5-difluoroanilino)pyridine-2-carbonitrile?
The InChIKey is VYGKKHNINPCKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3/c13-8-4-9(14)6-11(5-8)17-12-3-1-2-10(7-15)16-12/h1-6H,(H,16,17).
What are the key properties of 6-(3,5-difluoroanilino)pyridine-2-carbonitrile?
6-(3,5-difluoroanilino)pyridine-2-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 6-(3,5-difluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 64595862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).