5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid

C11H10N2O2 — CID 117223058

IUPAC5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-6,13H,12H2,(H,14,15)
InChIKeyVBUMEDRYZOVUJU-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.96
Rot. Bonds2

About 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid

5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 117223058) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID117223058
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-6,13H,12H2,(H,14,15)
InChIKeyVBUMEDRYZOVUJU-UHFFFAOYSA-N
XLogP1.96
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346
5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 175983972
5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide
CID 170693753
5-aminobenzene-1,3-dicarboxylic acid;benzene-1,4-diamine
CID 142851105
5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid
CID 168510098
sodium 5-(4-methylphenyl)-1H-pyrrole-2-carboxylate
CID 23713599
6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
CID 20980738
4-N-[4-[5-[4-(4-amino-N-methylanilino)phenyl]-1H-pyrrol-2-yl]phenyl]-4-N-methylbenzene-1,4-diamine
CID 142315294
5-(2,2-dimethylpropyl)-1H-pyrrole-2-carboxylic acid
CID 84718545
(Z)-3-amino-1-phenyl-3-(5-phenyl-1H-pyrrol-2-yl)prop-2-en-1-one
CID 162402457
[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119411202

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid (CID 117223058) is 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid is Nc1ccc(-c2ccc(C(=O)O)[nH]2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is VBUMEDRYZOVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-6,13H,12H2,(H,14,15).
What are the key properties of 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid?
5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 117223058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).