6-chloro-5-methoxypyridine-3-carboxylic acid

C7H6ClNO3 — CID 46911842

IUPAC6-chloro-5-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)cnc1Cl
InChIInChI=1S/C7H6ClNO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11)
InChIKeyWJPYILBWBQBKMD-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.44
Rot. Bonds2

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

6-chloro-5-methoxypyridine-3-carboxylic acid (PubChem CID 46911842) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 6-chloro-5-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-methoxypyridine-3-carboxylic acid
PubChem CID46911842
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name6-chloro-5-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)cnc1Cl
InChIInChI=1S/C7H6ClNO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11)
InChIKeyWJPYILBWBQBKMD-UHFFFAOYSA-N
XLogP1.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
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-chloro-5-methoxypyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-5-methoxypyridine-3-carboxylic acid (CID 46911842) is 6-chloro-5-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-methoxypyridine-3-carboxylic acid is COc1cc(C(=O)O)cnc1Cl.
What is the InChIKey of 6-chloro-5-methoxypyridine-3-carboxylic acid?
The InChIKey is WJPYILBWBQBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11).
What are the key properties of 6-chloro-5-methoxypyridine-3-carboxylic acid?
6-chloro-5-methoxypyridine-3-carboxylic acid has a molecular weight of 187.58 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 46911842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).