2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid

C11H8FNO4 — CID 123328528

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1-n1c(O)ccc1O
InChIInChI=1S/C11H8FNO4/c12-6-1-2-7(11(16)17)8(5-6)13-9(14)3-4-10(13)15/h1-5,14-15H,(H,16,17)
InChIKeyPKVJEMADGSJWDP-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.73
Rot. Bonds2

About 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid

2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid (PubChem CID 123328528) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid
PubChem CID123328528
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1-n1c(O)ccc1O
InChIInChI=1S/C11H8FNO4/c12-6-1-2-7(11(16)17)8(5-6)13-9(14)3-4-10(13)15/h1-5,14-15H,(H,16,17)
InChIKeyPKVJEMADGSJWDP-UHFFFAOYSA-N
XLogP1.73
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
CID 767146
2-(1H-pyrrol-1-yl)benzoic acid
CID 728521
2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid
CID 292955
2-(2,5-Dimethylpyrrol-1-yl)benzoic acid
CID 292956
Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
CID 213328
2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrole-3-carboxylic acid
CID 292958
1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 16228190
1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 5008278
2-(2,5-Dimethylpyrrol-1-yl)terephthalic acid
CID 57497199
1-(3-carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 292938
1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 16228377
1-(3-Carboxy-4-hydroxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 71601073

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid (CID 123328528) is 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1-n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid?
The InChIKey is PKVJEMADGSJWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-6-1-2-7(11(16)17)8(5-6)13-9(14)3-4-10(13)15/h1-5,14-15H,(H,16,17).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid?
2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid has a molecular weight of 237.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-4-fluorobenzoic acid is sourced from PubChem (CID 123328528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).