6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid

C8H5BrF2O3 — CID 118186627

IUPAC6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1c(Br)cc(F)c(CO)c1F
InChIInChI=1S/C8H5BrF2O3/c9-4-1-5(10)3(2-12)7(11)6(4)8(13)14/h1,12H,2H2,(H,13,14)
InChIKeyFVACUNXJBQEWTE-UHFFFAOYSA-N
MW267.02 g/mol
LogP1.92
Rot. Bonds2

About 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid

6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid (PubChem CID 118186627) has the molecular formula C8H5BrF2O3 and a molecular weight of 267.02 g/mol. Its IUPAC name is 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid
PubChem CID118186627
Molecular FormulaC8H5BrF2O3
Molecular Weight267.02 g/mol
Exact Mass265.94
IUPAC Name6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1c(Br)cc(F)c(CO)c1F
InChIInChI=1S/C8H5BrF2O3/c9-4-1-5(10)3(2-12)7(11)6(4)8(13)14/h1,12H,2H2,(H,13,14)
InChIKeyFVACUNXJBQEWTE-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.02
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044
6-bromo-2-fluoro-3-(hydroxymethyl)benzoic acid
CID 118186597
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
(3-bromo-4-chloro-2,6-difluorophenyl)methanol
CID 162422497
2-bromo-6-fluoro-4-iodobenzoic acid
CID 74892438
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
2,6-dibromo-3,5-difluorobenzoic acid
CID 119014383
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
3-fluoro-4-(hydroxymethyl)-5-methylbenzoic acid
CID 176697364
2-bromo-4-tert-butyl-6-fluorobenzoic acid
CID 122603855
3-chloro-5-fluoro-4-(hydroxymethyl)benzoic acid
CID 130219313

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid?
The IUPAC name of 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid (CID 118186627) is 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid?
The canonical SMILES for 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid is O=C(O)c1c(Br)cc(F)c(CO)c1F.
What is the InChIKey of 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid?
The InChIKey is FVACUNXJBQEWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O3/c9-4-1-5(10)3(2-12)7(11)6(4)8(13)14/h1,12H,2H2,(H,13,14).
What are the key properties of 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid?
6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid has a molecular weight of 267.02 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 118186627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).