6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid

C9H7F2NO2 — CID 171477788

IUPAC6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2CC2(F)F)n1
InChIInChI=1S/C9H7F2NO2/c10-9(11)4-5(9)6-2-1-3-7(12-6)8(13)14/h1-3,5H,4H2,(H,13,14)
InChIKeyVJVCLKUUXKRESI-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.90
Rot. Bonds2

About 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid

6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid (PubChem CID 171477788) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid
PubChem CID171477788
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C2CC2(F)F)n1
InChIInChI=1S/C9H7F2NO2/c10-9(11)4-5(9)6-2-1-3-7(12-6)8(13)14/h1-3,5H,4H2,(H,13,14)
InChIKeyVJVCLKUUXKRESI-UHFFFAOYSA-N
XLogP1.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.90
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-carboxylic acid?
The IUPAC name of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid (CID 171477788) is 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C2CC2(F)F)n1.
What is the InChIKey of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid?
The InChIKey is VJVCLKUUXKRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-9(11)4-5(9)6-2-1-3-7(12-6)8(13)14/h1-3,5H,4H2,(H,13,14).
What are the key properties of 6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid?
6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid has a molecular weight of 199.16 g/mol, XLogP of 1.90, 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-carboxylic acid is sourced from PubChem (CID 171477788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).