methyl 4-chloro-5-fluoro-2-hydroxybenzoate

C8H6ClFO3 — CID 131313356

IUPACmethyl 4-chloro-5-fluoro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C8H6ClFO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3
InChIKeySFKQLAILQZSUKM-UHFFFAOYSA-N
MW204.58 g/mol
LogP1.97
Rot. Bonds1

About methyl 4-chloro-5-fluoro-2-hydroxybenzoate

methyl 4-chloro-5-fluoro-2-hydroxybenzoate (PubChem CID 131313356) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is methyl 4-chloro-5-fluoro-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-chloro-5-fluoro-2-hydroxybenzoate
PubChem CID131313356
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Namemethyl 4-chloro-5-fluoro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C8H6ClFO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3
InChIKeySFKQLAILQZSUKM-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
methyl 5-chloro-4-fluoro-2-fluorosulfonylbenzoate
CID 138987747
acetyl 2,4-dichloro-5-fluorobenzoate
CID 134687762
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
CID 117301162
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
methyl 2-chloro-5-ethynyl-4-fluorobenzoate
CID 86032898
methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-fluoro-2-hydroxybenzoate?
The IUPAC name of methyl 4-chloro-5-fluoro-2-hydroxybenzoate (CID 131313356) is methyl 4-chloro-5-fluoro-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-chloro-5-fluoro-2-hydroxybenzoate?
The canonical SMILES for methyl 4-chloro-5-fluoro-2-hydroxybenzoate is COC(=O)c1cc(F)c(Cl)cc1O.
What is the InChIKey of methyl 4-chloro-5-fluoro-2-hydroxybenzoate?
The InChIKey is SFKQLAILQZSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3.
What are the key properties of methyl 4-chloro-5-fluoro-2-hydroxybenzoate?
methyl 4-chloro-5-fluoro-2-hydroxybenzoate has a molecular weight of 204.58 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-fluoro-2-hydroxybenzoate is sourced from PubChem (CID 131313356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).