6-chloropyridine-2-carboxylic acid

C6H4ClNO2 — CID 20812

IUPAC6-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cl)n1
InChIInChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChIKeyZLKMOIHCHCMSFW-UHFFFAOYSA-N
MW157.56 g/mol
LogP1.43
Rot. Bonds1

About 6-chloropyridine-2-carboxylic acid

6-chloropyridine-2-carboxylic acid (PubChem CID 20812) has the molecular formula C6H4ClNO2 and a molecular weight of 157.56 g/mol. Its IUPAC name is 6-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloropyridine-2-carboxylic acid
PubChem CID20812
Molecular FormulaC6H4ClNO2
Molecular Weight157.56 g/mol
Exact Mass156.99
IUPAC Name6-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cl)n1
InChIInChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChIKeyZLKMOIHCHCMSFW-UHFFFAOYSA-N
XLogP1.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 51.43
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-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-chloropyridine-2-carboxylic acid (CID 20812) is 6-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-chloropyridine-2-carboxylic acid is O=C(O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloropyridine-2-carboxylic acid?
The InChIKey is ZLKMOIHCHCMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10).
What are the key properties of 6-chloropyridine-2-carboxylic acid?
6-chloropyridine-2-carboxylic acid has a molecular weight of 157.56 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 20812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).