5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid

C15H13ClN2O2 — CID 115110335

IUPAC5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O2/c1-17-8-11(10-7-9(16)3-4-12(10)17)13-5-6-14(15(19)20)18(13)2/h3-8H,1-2H3,(H,19,20)
InChIKeyIZVJYXIPTLKFEN-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.54
Rot. Bonds2

About 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid

5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 115110335) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid
PubChem CID115110335
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O2/c1-17-8-11(10-7-9(16)3-4-12(10)17)13-5-6-14(15(19)20)18(13)2/h3-8H,1-2H3,(H,19,20)
InChIKeyIZVJYXIPTLKFEN-UHFFFAOYSA-N
XLogP3.54
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxylic acid
CID 43671816
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
CID 1485807
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 115110303
3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838813
5-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
CID 55131093
5-(6-chloro-1-methylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108940
5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110161
3-(5-chloro-1-methylindol-3-yl)-4-methylpentanoic acid
CID 133108300
3-(3-chlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838816
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84633575

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid (CID 115110335) is 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1-c1cn(C)c2ccc(Cl)cc12.
What is the InChIKey of 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is IZVJYXIPTLKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-17-8-11(10-7-9(16)3-4-12(10)17)13-5-6-14(15(19)20)18(13)2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid?
5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 288.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 115110335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).