3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid

C12H7Cl2NO4 — CID 70546030

IUPAC3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2Cl)c(C(=O)O)[nH]1
InChIInChI=1S/C12H7Cl2NO4/c13-7-3-1-2-5(9(7)14)6-4-8(11(16)17)15-10(6)12(18)19/h1-4,15H,(H,16,17)(H,18,19)
InChIKeyJTJAHGSDDULXSI-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.38
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid

3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid (PubChem CID 70546030) has the molecular formula C12H7Cl2NO4 and a molecular weight of 300.10 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
PubChem CID70546030
Molecular FormulaC12H7Cl2NO4
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2Cl)c(C(=O)O)[nH]1
InChIInChI=1S/C12H7Cl2NO4/c13-7-3-1-2-5(9(7)14)6-4-8(11(16)17)15-10(6)12(18)19/h1-4,15H,(H,16,17)(H,18,19)
InChIKeyJTJAHGSDDULXSI-UHFFFAOYSA-N
XLogP3.38
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
CID 12832892
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 53223981
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
CID 118847536
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092961
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133092701
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid (CID 70546030) is 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2Cl)c(C(=O)O)[nH]1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid?
The InChIKey is JTJAHGSDDULXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO4/c13-7-3-1-2-5(9(7)14)6-4-8(11(16)17)15-10(6)12(18)19/h1-4,15H,(H,16,17)(H,18,19).
What are the key properties of 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid?
3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid has a molecular weight of 300.10 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid is sourced from PubChem (CID 70546030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).