5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid

C14H11ClN2O2 — CID 115110303

IUPAC5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESCn1cc(-c2ccc(C(=O)O)[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2O2/c1-17-7-10(9-3-2-8(15)6-13(9)17)11-4-5-12(16-11)14(18)19/h2-7,16H,1H3,(H,18,19)
InChIKeyNTVKQJPYGUARPW-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.53
Rot. Bonds2

About 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid

5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115110303) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID115110303
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESCn1cc(-c2ccc(C(=O)O)[nH]2)c2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2O2/c1-17-7-10(9-3-2-8(15)6-13(9)17)11-4-5-12(16-11)14(18)19/h2-7,16H,1H3,(H,18,19)
InChIKeyNTVKQJPYGUARPW-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

5-(6-chloro-1-methylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108940
3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838813
3-(3-chlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838816
5-(5-chloro-1-methylindol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110335
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
CID 1485807
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
carbanide;2-(6-chloro-1-methylindol-3-yl)ethanone;vanadium(2+)
CID 166553996
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid (CID 115110303) is 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid is Cn1cc(-c2ccc(C(=O)O)[nH]2)c2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is NTVKQJPYGUARPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17-7-10(9-3-2-8(15)6-13(9)17)11-4-5-12(16-11)14(18)19/h2-7,16H,1H3,(H,18,19).
What are the key properties of 5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid?
5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-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-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115110303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).