3-chloro-2-fluoro-4-hydroxybenzoic acid

C7H4ClFO3 — CID 11735652

IUPAC3-chloro-2-fluoro-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(Cl)c1F
InChIInChI=1S/C7H4ClFO3/c8-5-4(10)2-1-3(6(5)9)7(11)12/h1-2,10H,(H,11,12)
InChIKeyDQHFMFNAWOVOLE-UHFFFAOYSA-N
MW190.56 g/mol
LogP1.88
Rot. Bonds1

About 3-chloro-2-fluoro-4-hydroxybenzoic acid

3-chloro-2-fluoro-4-hydroxybenzoic acid (PubChem CID 11735652) has the molecular formula C7H4ClFO3 and a molecular weight of 190.56 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-hydroxybenzoic acid
PubChem CID11735652
Molecular FormulaC7H4ClFO3
Molecular Weight190.56 g/mol
Exact Mass189.98
IUPAC Name3-chloro-2-fluoro-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(Cl)c1F
InChIInChI=1S/C7H4ClFO3/c8-5-4(10)2-1-3(6(5)9)7(11)12/h1-2,10H,(H,11,12)
InChIKeyDQHFMFNAWOVOLE-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653967
3-chloro-2-fluoro-4-formylbenzoic acid
CID 164891757
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703
sodium;3-chloro-4-hydroxyphthalic acid;hydride
CID 173314092
propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate
CID 90322649
5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 84673726
4-chloro-2-fluoro-3-methylsulfanylbenzoic acid
CID 54132041
4-chloro-3-(difluoromethyl)-2-fluorobenzoic acid
CID 163198095
2-chloro-5-fluoro-3-hydroxybenzoic acid
CID 131954804
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
4-chloro-3-ethyl-2-fluorobenzoic acid
CID 171366815
4,5,8-trihydroxynaphthalene-1-carboxylic acid
CID 139775362

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-hydroxybenzoic acid?
The IUPAC name of 3-chloro-2-fluoro-4-hydroxybenzoic acid (CID 11735652) is 3-chloro-2-fluoro-4-hydroxybenzoic acid.
What is the SMILES notation for 3-chloro-2-fluoro-4-hydroxybenzoic acid?
The canonical SMILES for 3-chloro-2-fluoro-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-4-hydroxybenzoic acid?
The InChIKey is DQHFMFNAWOVOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO3/c8-5-4(10)2-1-3(6(5)9)7(11)12/h1-2,10H,(H,11,12).
What are the key properties of 3-chloro-2-fluoro-4-hydroxybenzoic acid?
3-chloro-2-fluoro-4-hydroxybenzoic acid has a molecular weight of 190.56 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-hydroxybenzoic acid is sourced from PubChem (CID 11735652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).