5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid

C14H11ClN2O2 — CID 115110161

IUPAC5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H11ClN2O2/c1-17-12(4-5-13(17)14(18)19)11-6-8-2-3-9(15)7-10(8)16-11/h2-7,16H,1H3,(H,18,19)
InChIKeyONXLQNMYJRSSLM-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.53
Rot. Bonds2

About 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid

5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 115110161) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid
PubChem CID115110161
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H11ClN2O2/c1-17-12(4-5-13(17)14(18)19)11-6-8-2-3-9(15)7-10(8)16-11/h2-7,16H,1H3,(H,18,19)
InChIKeyONXLQNMYJRSSLM-UHFFFAOYSA-N
XLogP3.53
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113884
5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxylic acid
CID 43671816
5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110335
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496
5-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxylic acid
CID 55131093
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985599
6-chloro-2-(6-chloro-1H-indol-3-yl)-1H-indole
CID 177408697
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid (CID 115110161) is 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1-c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is ONXLQNMYJRSSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17-12(4-5-13(17)14(18)19)11-6-8-2-3-9(15)7-10(8)16-11/h2-7,16H,1H3,(H,18,19).
What are the key properties of 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid?
5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 274.71 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 115110161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).