3-(2,5-dihydroxypyrrol-1-yl)benzoic acid

C11H9NO4 — CID 91932579

IUPAC3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C11H9NO4/c13-9-4-5-10(14)12(9)8-3-1-2-7(6-8)11(15)16/h1-6,13-14H,(H,15,16)
InChIKeyRCKRDWZGDAPZFD-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.59
Rot. Bonds2

About 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid

3-(2,5-dihydroxypyrrol-1-yl)benzoic acid (PubChem CID 91932579) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
PubChem CID91932579
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C11H9NO4/c13-9-4-5-10(14)12(9)8-3-1-2-7(6-8)11(15)16/h1-6,13-14H,(H,15,16)
InChIKeyRCKRDWZGDAPZFD-UHFFFAOYSA-N
XLogP1.59
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid (CID 91932579) is 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid is O=C(O)c1cccc(-n2c(O)ccc2O)c1.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid?
The InChIKey is RCKRDWZGDAPZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-4-5-10(14)12(9)8-3-1-2-7(6-8)11(15)16/h1-6,13-14H,(H,15,16).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid?
3-(2,5-dihydroxypyrrol-1-yl)benzoic acid has a molecular weight of 219.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)benzoic acid is sourced from PubChem (CID 91932579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).