3-chloro-5-methoxypyridine-4-carboxylic acid

C7H6ClNO3 — CID 10487843

IUPAC3-chloro-5-methoxypyridine-4-carboxylic acid
SMILESCOc1cncc(Cl)c1C(=O)O
InChIInChI=1S/C7H6ClNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyPAUHOSGGUVTDAE-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.44
Rot. Bonds2

About 3-chloro-5-methoxypyridine-4-carboxylic acid

3-chloro-5-methoxypyridine-4-carboxylic acid (PubChem CID 10487843) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 3-chloro-5-methoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-methoxypyridine-4-carboxylic acid
PubChem CID10487843
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name3-chloro-5-methoxypyridine-4-carboxylic acid
SMILESCOc1cncc(Cl)c1C(=O)O
InChIInChI=1S/C7H6ClNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyPAUHOSGGUVTDAE-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 3-chloro-5-methoxypyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-methoxypyridine-4-carboxylic acid (CID 10487843) is 3-chloro-5-methoxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-methoxypyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-methoxypyridine-4-carboxylic acid is COc1cncc(Cl)c1C(=O)O.
What is the InChIKey of 3-chloro-5-methoxypyridine-4-carboxylic acid?
The InChIKey is PAUHOSGGUVTDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 3-chloro-5-methoxypyridine-4-carboxylic acid?
3-chloro-5-methoxypyridine-4-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 3-chloro-5-methoxypyridine-4-carboxylic acid is sourced from PubChem (CID 10487843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).