4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid

C13H13ClN2O2 — CID 28805977

IUPAC4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(N)c(-c2ccc(Cl)cc2)n1C
InChIInChI=1S/C13H13ClN2O2/c1-7-10(13(17)18)11(15)12(16(7)2)8-3-5-9(14)6-4-8/h3-6H,15H2,1-2H3,(H,17,18)
InChIKeySGOJXYGNRIAVNR-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.93
Rot. Bonds2

About 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid

4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid (PubChem CID 28805977) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
PubChem CID28805977
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(N)c(-c2ccc(Cl)cc2)n1C
InChIInChI=1S/C13H13ClN2O2/c1-7-10(13(17)18)11(15)12(16(7)2)8-3-5-9(14)6-4-8/h3-6H,15H2,1-2H3,(H,17,18)
InChIKeySGOJXYGNRIAVNR-UHFFFAOYSA-N
XLogP2.93
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 162039743
1-[4-amino-5-[4-(dimethylamino)phenyl]-1,2-dimethylpyrrol-3-yl]ethanone
CID 28805793
4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
CID 28805947
4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
CID 67319956
sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride
CID 173392011
ethyl 4-(3-bromophenyl)-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylate
CID 71606585
methyl 4-chloro-1,2-dimethyl-5-phenylpyrrole-3-carboxylate
CID 91672505
sodium 5-(4-chlorophenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxylate
CID 23705012
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
5-(4-chlorophenyl)-1-methyl-2-methylsulfonylimidazole-4-carboxylic acid
CID 117224873
5-(4-chlorophenyl)-4-[6-[ethyl(3-methylbutyl)amino]cyclohepta-1,3,6-trien-1-yl]-1,2-dimethylpyrrole-3-carboxylic acid
CID 135266630

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid (CID 28805977) is 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)c(N)c(-c2ccc(Cl)cc2)n1C.
What is the InChIKey of 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid?
The InChIKey is SGOJXYGNRIAVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-10(13(17)18)11(15)12(16(7)2)8-3-5-9(14)6-4-8/h3-6H,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid?
4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid has a molecular weight of 264.71 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 28805977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).