5-chloropyridine-2-carboxylic acid

C6H4ClNO2 — CID 2762872

IUPAC5-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)cn1
InChIInChI=1S/C6H4ClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKeyGJLOKYIYZIOIPN-UHFFFAOYSA-N
MW157.56 g/mol
LogP1.43
Rot. Bonds1

About 5-chloropyridine-2-carboxylic acid

5-chloropyridine-2-carboxylic acid (PubChem CID 2762872) has the molecular formula C6H4ClNO2 and a molecular weight of 157.56 g/mol. Its IUPAC name is 5-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloropyridine-2-carboxylic acid
PubChem CID2762872
Molecular FormulaC6H4ClNO2
Molecular Weight157.56 g/mol
Exact Mass156.99
IUPAC Name5-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)cn1
InChIInChI=1S/C6H4ClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKeyGJLOKYIYZIOIPN-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyridine-2-carboxylic acid?
The IUPAC name of 5-chloropyridine-2-carboxylic acid (CID 2762872) is 5-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloropyridine-2-carboxylic acid?
The canonical SMILES for 5-chloropyridine-2-carboxylic acid is O=C(O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloropyridine-2-carboxylic acid?
The InChIKey is GJLOKYIYZIOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10).
What are the key properties of 5-chloropyridine-2-carboxylic acid?
5-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 5-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 2762872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).