4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid

C11H9BrClNO2 — CID 121293830

IUPAC4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid
SMILESCc1[nH]c2c(C(=O)O)cc(Cl)c(Br)c2c1C
InChIInChI=1S/C11H9BrClNO2/c1-4-5(2)14-10-6(11(15)16)3-7(13)9(12)8(4)10/h3,14H,1-2H3,(H,15,16)
InChIKeyIJOVECHSODXMAN-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.90
Rot. Bonds1

About 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid

4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid (PubChem CID 121293830) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid
PubChem CID121293830
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Name4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid
SMILESCc1[nH]c2c(C(=O)O)cc(Cl)c(Br)c2c1C
InChIInChI=1S/C11H9BrClNO2/c1-4-5(2)14-10-6(11(15)16)3-7(13)9(12)8(4)10/h3,14H,1-2H3,(H,15,16)
InChIKeyIJOVECHSODXMAN-UHFFFAOYSA-N
XLogP3.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chloro-2-methyl-1H-indole-3-carboxylic acid
CID 28290435
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 900012
(7S)-4-bromo-3-fluoro-7-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 135155645
6-bromo-2-methyl-1H-indole-3-carboxylic acid
CID 71463797
4-bromo-5-chloro-1H-indole-2-carboxylic acid
CID 165605543
4-bromo-3-chloro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 117761287
5-chloro-2-fluoro-1H-indole-7-carboxylic acid
CID 69347656
4-Bromo-5-fluoro-2,3-dimethyl-1h-indole-7-carboxylic acid
CID 76848195
ethyl 4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylate
CID 121293749
4-bromo-5-fluoro-3-methyl-2-(trifluoromethyl)-1H-indole-7-carboxylic acid
CID 121293991
4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 130362357
4-bromo-3-fluoro-9H-carbazole-1-carboxylic acid
CID 130362544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid?
The IUPAC name of 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid (CID 121293830) is 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid?
The canonical SMILES for 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid is Cc1[nH]c2c(C(=O)O)cc(Cl)c(Br)c2c1C.
What is the InChIKey of 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid?
The InChIKey is IJOVECHSODXMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c1-4-5(2)14-10-6(11(15)16)3-7(13)9(12)8(4)10/h3,14H,1-2H3,(H,15,16).
What are the key properties of 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid?
4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid has a molecular weight of 302.56 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 121293830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).