6-cyano-2-(difluoromethyl)pyridine-3-carboxamide

C8H5F2N3O — CID 130096117

IUPAC6-cyano-2-(difluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(N)=O)c(C(F)F)n1
InChIInChI=1S/C8H5F2N3O/c9-7(10)6-5(8(12)14)2-1-4(3-11)13-6/h1-2,7H,(H2,12,14)
InChIKeyRVNPJQONASRCAV-UHFFFAOYSA-N
MW197.14 g/mol
LogP0.99
Rot. Bonds2

About 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide

6-cyano-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 130096117) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-2-(difluoromethyl)pyridine-3-carboxamide
PubChem CID130096117
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name6-cyano-2-(difluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(N)=O)c(C(F)F)n1
InChIInChI=1S/C8H5F2N3O/c9-7(10)6-5(8(12)14)2-1-4(3-11)13-6/h1-2,7H,(H2,12,14)
InChIKeyRVNPJQONASRCAV-UHFFFAOYSA-N
XLogP0.99
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide (CID 130096117) is 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide is N#Cc1ccc(C(N)=O)c(C(F)F)n1.
What is the InChIKey of 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is RVNPJQONASRCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-7(10)6-5(8(12)14)2-1-4(3-11)13-6/h1-2,7H,(H2,12,14).
What are the key properties of 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide?
6-cyano-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 197.14 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 130096117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).