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

C7H6ClNO3 — CID 16785377

IUPAC5-chloro-6-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C7H6ClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyFUBFUAARMGZWPE-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.44
Rot. Bonds2

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

5-chloro-6-methoxypyridine-3-carboxylic acid (PubChem CID 16785377) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 5-chloro-6-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-methoxypyridine-3-carboxylic acid
PubChem CID16785377
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name5-chloro-6-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C7H6ClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyFUBFUAARMGZWPE-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-methoxypyridine-3-carboxylic acid (CID 16785377) is 5-chloro-6-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-methoxypyridine-3-carboxylic acid is COc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-methoxypyridine-3-carboxylic acid?
The InChIKey is FUBFUAARMGZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 5-chloro-6-methoxypyridine-3-carboxylic acid?
5-chloro-6-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 5-chloro-6-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 16785377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).