6-chloro-5-cyclopropylpyridine-3-carboxylic acid

C9H8ClNO2 — CID 75481489

IUPAC6-chloro-5-cyclopropylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(C2CC2)c1
InChIInChI=1S/C9H8ClNO2/c10-8-7(5-1-2-5)3-6(4-11-8)9(12)13/h3-5H,1-2H2,(H,12,13)
InChIKeyVDVBTAOLRWLUMM-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.31
Rot. Bonds2

About 6-chloro-5-cyclopropylpyridine-3-carboxylic acid

6-chloro-5-cyclopropylpyridine-3-carboxylic acid (PubChem CID 75481489) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-5-cyclopropylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-cyclopropylpyridine-3-carboxylic acid
PubChem CID75481489
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name6-chloro-5-cyclopropylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(C2CC2)c1
InChIInChI=1S/C9H8ClNO2/c10-8-7(5-1-2-5)3-6(4-11-8)9(12)13/h3-5H,1-2H2,(H,12,13)
InChIKeyVDVBTAOLRWLUMM-UHFFFAOYSA-N
XLogP2.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopropylpyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-5-cyclopropylpyridine-3-carboxylic acid (CID 75481489) is 6-chloro-5-cyclopropylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-cyclopropylpyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-cyclopropylpyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)c(C2CC2)c1.
What is the InChIKey of 6-chloro-5-cyclopropylpyridine-3-carboxylic acid?
The InChIKey is VDVBTAOLRWLUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-7(5-1-2-5)3-6(4-11-8)9(12)13/h3-5H,1-2H2,(H,12,13).
What are the key properties of 6-chloro-5-cyclopropylpyridine-3-carboxylic acid?
6-chloro-5-cyclopropylpyridine-3-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclopropylpyridine-3-carboxylic acid is sourced from PubChem (CID 75481489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).