5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid

C14H11ClN2O2 — CID 115110113

IUPAC5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCn1c(-c2ccc(C(=O)O)[nH]2)cc2cccc(Cl)c21
InChIInChI=1S/C14H11ClN2O2/c1-17-12(10-5-6-11(16-10)14(18)19)7-8-3-2-4-9(15)13(8)17/h2-7,16H,1H3,(H,18,19)
InChIKeyZKKKZXLZRFZZEP-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.53
Rot. Bonds2

About 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid

5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115110113) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID115110113
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESCn1c(-c2ccc(C(=O)O)[nH]2)cc2cccc(Cl)c21
InChIInChI=1S/C14H11ClN2O2/c1-17-12(10-5-6-11(16-10)14(18)19)7-8-3-2-4-9(15)13(8)17/h2-7,16H,1H3,(H,18,19)
InChIKeyZKKKZXLZRFZZEP-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-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110110
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327
5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110214
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107688
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115107942
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
CID 56902551
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid (CID 115110113) is 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid is Cn1c(-c2ccc(C(=O)O)[nH]2)cc2cccc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZKKKZXLZRFZZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17-12(10-5-6-11(16-10)14(18)19)7-8-3-2-4-9(15)13(8)17/h2-7,16H,1H3,(H,18,19).
What are the key properties of 5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid?
5-(7-chloro-1-methylindol-2-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-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).