1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol

C10H9ClN2O2 — CID 91897251

IUPAC1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol
SMILESNc1cc(Cl)ccc1-n1c(O)ccc1O
InChIInChI=1S/C10H9ClN2O2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5,14-15H,12H2
InChIKeyDLBYDRMFFCHJMV-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.12
Rot. Bonds1

About 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol

1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol (PubChem CID 91897251) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol
PubChem CID91897251
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol
SMILESNc1cc(Cl)ccc1-n1c(O)ccc1O
InChIInChI=1S/C10H9ClN2O2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5,14-15H,12H2
InChIKeyDLBYDRMFFCHJMV-UHFFFAOYSA-N
XLogP2.12
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 62949743
2-amino-4-chlorophenol;carbon dioxide
CID 160735272
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloroaniline
CID 115558894
5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
CID 28605520
5-chloro-2-(4-methylpyrazol-1-yl)aniline
CID 19624514
5-chloro-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543007
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
2-[2-(2-amino-4-chlorophenyl)pyrazol-3-yl]ethanol
CID 56963773
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chloroaniline
CID 82746682
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
bis(2-amino-4-chlorophenyl)methanone
CID 15130044

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol (CID 91897251) is 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol is Nc1cc(Cl)ccc1-n1c(O)ccc1O.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol?
The InChIKey is DLBYDRMFFCHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5,14-15H,12H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol?
1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol has a molecular weight of 224.65 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 91897251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).