5-cyclopropylpyridine-3-carboxylic acid

C9H9NO2 — CID 23004857

IUPAC5-cyclopropylpyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C2CC2)c1
InChIInChI=1S/C9H9NO2/c11-9(12)8-3-7(4-10-5-8)6-1-2-6/h3-6H,1-2H2,(H,11,12)
InChIKeyLBHNNLZEKMLNAB-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.66
Rot. Bonds2

About 5-cyclopropylpyridine-3-carboxylic acid

5-cyclopropylpyridine-3-carboxylic acid (PubChem CID 23004857) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-cyclopropylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropylpyridine-3-carboxylic acid
PubChem CID23004857
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-cyclopropylpyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C2CC2)c1
InChIInChI=1S/C9H9NO2/c11-9(12)8-3-7(4-10-5-8)6-1-2-6/h3-6H,1-2H2,(H,11,12)
InChIKeyLBHNNLZEKMLNAB-UHFFFAOYSA-N
XLogP1.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropylpyridine-3-carboxylic acid (CID 23004857) is 5-cyclopropylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropylpyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropylpyridine-3-carboxylic acid is O=C(O)c1cncc(C2CC2)c1.
What is the InChIKey of 5-cyclopropylpyridine-3-carboxylic acid?
The InChIKey is LBHNNLZEKMLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)8-3-7(4-10-5-8)6-1-2-6/h3-6H,1-2H2,(H,11,12).
What are the key properties of 5-cyclopropylpyridine-3-carboxylic acid?
5-cyclopropylpyridine-3-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpyridine-3-carboxylic acid is sourced from PubChem (CID 23004857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).