6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide

C9H8F2N2O — CID 171477772

IUPAC6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C2CC2(F)F)n1
InChIInChI=1S/C9H8F2N2O/c10-9(11)4-5(9)6-2-1-3-7(13-6)8(12)14/h1-3,5H,4H2,(H2,12,14)
InChIKeyZGDYYNCFBBBLDB-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.30
Rot. Bonds2

About 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide

6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide (PubChem CID 171477772) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide
PubChem CID171477772
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C2CC2(F)F)n1
InChIInChI=1S/C9H8F2N2O/c10-9(11)4-5(9)6-2-1-3-7(13-6)8(12)14/h1-3,5H,4H2,(H2,12,14)
InChIKeyZGDYYNCFBBBLDB-UHFFFAOYSA-N
XLogP1.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide (CID 171477772) is 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide is NC(=O)c1cccc(C2CC2(F)F)n1.
What is the InChIKey of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide?
The InChIKey is ZGDYYNCFBBBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-9(11)4-5(9)6-2-1-3-7(13-6)8(12)14/h1-3,5H,4H2,(H2,12,14).
What are the key properties of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide?
6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide has a molecular weight of 198.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 171477772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).