1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid

C9H8FNO2 — CID 84657708

IUPAC1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncccc2F)CC1
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-11-7(6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeyMHAJPJCENLNPPX-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.34
Rot. Bonds2

About 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid

1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 84657708) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID84657708
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncccc2F)CC1
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-11-7(6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeyMHAJPJCENLNPPX-UHFFFAOYSA-N
XLogP1.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid (CID 84657708) is 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ncccc2F)CC1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is MHAJPJCENLNPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-6-2-1-5-11-7(6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid?
1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 181.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84657708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).