2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid

C8H6ClFO4 — CID 117314957

IUPAC2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(F)c(Cl)c(C(=O)O)c1O
InChIInChI=1S/C8H6ClFO4/c1-14-4-2-3(10)6(9)5(7(4)11)8(12)13/h2,11H,1H3,(H,12,13)
InChIKeyOVZNFSYGDZYLQH-UHFFFAOYSA-N
MW220.58 g/mol
LogP1.89
Rot. Bonds2

About 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid

2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid (PubChem CID 117314957) has the molecular formula C8H6ClFO4 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
PubChem CID117314957
Molecular FormulaC8H6ClFO4
Molecular Weight220.58 g/mol
Exact Mass219.99
IUPAC Name2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(F)c(Cl)c(C(=O)O)c1O
InChIInChI=1S/C8H6ClFO4/c1-14-4-2-3(10)6(9)5(7(4)11)8(12)13/h2,11H,1H3,(H,12,13)
InChIKeyOVZNFSYGDZYLQH-UHFFFAOYSA-N
XLogP1.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
CID 117411352
5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid
CID 83903185
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid
CID 170994441
2-chloro-6-fluoro-5-methoxy-3-methylaniline;2-chloro-6-fluoro-5-methoxy-3-methylbenzoic acid
CID 157165383
2,6-difluoro-3-hydroxy-5-methoxybenzoic acid
CID 18444822
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
5-chloro-2-fluoro-3,6-dimethoxybenzoic acid
CID 84797146
2-(3-chloro-2,4-dimethoxyphenyl)-6-fluorobenzoic acid
CID 114560415

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid?
The IUPAC name of 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid (CID 117314957) is 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid.
What is the SMILES notation for 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid?
The canonical SMILES for 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid is COc1cc(F)c(Cl)c(C(=O)O)c1O.
What is the InChIKey of 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid?
The InChIKey is OVZNFSYGDZYLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO4/c1-14-4-2-3(10)6(9)5(7(4)11)8(12)13/h2,11H,1H3,(H,12,13).
What are the key properties of 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid?
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid has a molecular weight of 220.58 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid is sourced from PubChem (CID 117314957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).