6-chloropyridine-3-carboxylate

C6H3ClNO2- — CID 6933309

IUPAC6-chloropyridine-3-carboxylate
SMILESO=C([O-])c1ccc(Cl)nc1
InChIInChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)/p-1
InChIKeyUAWMVMPAYRWUFX-UHFFFAOYSA-M
MW156.55 g/mol
LogP0.10
Rot. Bonds1

About 6-chloropyridine-3-carboxylate

6-chloropyridine-3-carboxylate (PubChem CID 6933309) has the molecular formula C6H3ClNO2- and a molecular weight of 156.55 g/mol. Its IUPAC name is 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name6-chloropyridine-3-carboxylate
PubChem CID6933309
Molecular FormulaC6H3ClNO2-
Molecular Weight156.55 g/mol
Exact Mass155.99
IUPAC Name6-chloropyridine-3-carboxylate
SMILESO=C([O-])c1ccc(Cl)nc1
InChIInChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)/p-1
InChIKeyUAWMVMPAYRWUFX-UHFFFAOYSA-M
XLogP0.10
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.55
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-carboxylate?
The IUPAC name of 6-chloropyridine-3-carboxylate (CID 6933309) is 6-chloropyridine-3-carboxylate.
What is the SMILES notation for 6-chloropyridine-3-carboxylate?
The canonical SMILES for 6-chloropyridine-3-carboxylate is O=C([O-])c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-carboxylate?
The InChIKey is UAWMVMPAYRWUFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)/p-1.
What are the key properties of 6-chloropyridine-3-carboxylate?
6-chloropyridine-3-carboxylate has a molecular weight of 156.55 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 6933309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).