2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid

C12H9NO5 — CID 91545022

IUPAC2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)n1c(O)ccc1O
InChIInChI=1S/C12H9NO5/c14-9-5-6-10(15)13(9)11(16)7-3-1-2-4-8(7)12(17)18/h1-6,14-15H,(H,17,18)
InChIKeyQQYLVZWBAAUWNC-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.29
Rot. Bonds2

About 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid

2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid (PubChem CID 91545022) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid
PubChem CID91545022
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)n1c(O)ccc1O
InChIInChI=1S/C12H9NO5/c14-9-5-6-10(15)13(9)11(16)7-3-1-2-4-8(7)12(17)18/h1-6,14-15H,(H,17,18)
InChIKeyQQYLVZWBAAUWNC-UHFFFAOYSA-N
XLogP1.29
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 160861167
phthalic acid;hydrobromide
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CID 66717184
CID 66717184
dichloropalladium;phthalic acid
CID 174947627
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
barium(2+);hydride;phthalic acid
CID 173000011
dilithium;hydride;phthalic acid
CID 173011412
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
azane;phthalic acid;hydrochloride
CID 175440203

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid?
The IUPAC name of 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid (CID 91545022) is 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid?
The InChIKey is QQYLVZWBAAUWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c14-9-5-6-10(15)13(9)11(16)7-3-1-2-4-8(7)12(17)18/h1-6,14-15H,(H,17,18).
What are the key properties of 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid?
2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid has a molecular weight of 247.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrole-1-carbonyl)benzoic acid is sourced from PubChem (CID 91545022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).