6-chloro-3-fluoro-2-methylbenzoic acid

C8H6ClFO2 — CID 68752912

IUPAC6-chloro-3-fluoro-2-methylbenzoic acid
SMILESCc1c(F)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6ClFO2/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyVGWHHHAMDCAJNQ-UHFFFAOYSA-N
MW188.58 g/mol
LogP2.49
Rot. Bonds1

About 6-chloro-3-fluoro-2-methylbenzoic acid

6-chloro-3-fluoro-2-methylbenzoic acid (PubChem CID 68752912) has the molecular formula C8H6ClFO2 and a molecular weight of 188.58 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-methylbenzoic acid.

Molecular Properties

Compound Name6-chloro-3-fluoro-2-methylbenzoic acid
PubChem CID68752912
Molecular FormulaC8H6ClFO2
Molecular Weight188.58 g/mol
Exact Mass188.00
IUPAC Name6-chloro-3-fluoro-2-methylbenzoic acid
SMILESCc1c(F)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6ClFO2/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyVGWHHHAMDCAJNQ-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-3-fluoro-2-methylbenzoic 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

ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
3-fluoro-6-iodo-2-methylbenzoic acid
CID 71149386
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 171061998
2-azido-6-chloro-3-fluorobenzoic acid
CID 169325799
6-chloro-2,3-difluorobenzoyl chloride
CID 50998364
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
3,6-dichloro-2-hydroxybenzoic acid
CID 162211371
(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
CID 114275342

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-2-methylbenzoic acid?
The IUPAC name of 6-chloro-3-fluoro-2-methylbenzoic acid (CID 68752912) is 6-chloro-3-fluoro-2-methylbenzoic acid.
What is the SMILES notation for 6-chloro-3-fluoro-2-methylbenzoic acid?
The canonical SMILES for 6-chloro-3-fluoro-2-methylbenzoic acid is Cc1c(F)ccc(Cl)c1C(=O)O.
What is the InChIKey of 6-chloro-3-fluoro-2-methylbenzoic acid?
The InChIKey is VGWHHHAMDCAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 6-chloro-3-fluoro-2-methylbenzoic acid?
6-chloro-3-fluoro-2-methylbenzoic acid has a molecular weight of 188.58 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2-methylbenzoic acid is sourced from PubChem (CID 68752912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).