7-bromo-4-methyl-1H-indole-2-carboxylic acid

C10H8BrNO2 — CID 124706991

IUPAC7-bromo-4-methyl-1H-indole-2-carboxylic acid
SMILESCc1ccc(Br)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C10H8BrNO2/c1-5-2-3-7(11)9-6(5)4-8(12-9)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyKXRSXLJJKOJSKJ-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.94
Rot. Bonds1

About 7-bromo-4-methyl-1H-indole-2-carboxylic acid

7-bromo-4-methyl-1H-indole-2-carboxylic acid (PubChem CID 124706991) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 7-bromo-4-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-4-methyl-1H-indole-2-carboxylic acid
PubChem CID124706991
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name7-bromo-4-methyl-1H-indole-2-carboxylic acid
SMILESCc1ccc(Br)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C10H8BrNO2/c1-5-2-3-7(11)9-6(5)4-8(12-9)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyKXRSXLJJKOJSKJ-UHFFFAOYSA-N
XLogP2.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-methyl-1H-indole-2-carboxylic acid
CID 259188
6-bromo-1H-indole-2-carboxylic acid
CID 4011696
5-Bromo-1H-indole-2-carboxylic acid
CID 252137
7-bromo-1H-indole-2-carboxylic acid
CID 575012
3H-Benzo[e]indole-2-carboxylic acid
CID 354966
3-Methyl-1H-indole-2-carboxylic acid
CID 2752638
3-(2-Carboxyindol-3-yl)propionic acid
CID 169313
methyl 6-bromo-1H-indole-2-carboxylate
CID 754141
6-Methyl-1H-indole-2-carboxylic acid
CID 3163396
3-phenyl-1H-indole-2-carboxylic acid
CID 2763657

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-bromo-4-methyl-1H-indole-2-carboxylic acid (CID 124706991) is 7-bromo-4-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-bromo-4-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-bromo-4-methyl-1H-indole-2-carboxylic acid is Cc1ccc(Br)c2[nH]c(C(=O)O)cc12.
What is the InChIKey of 7-bromo-4-methyl-1H-indole-2-carboxylic acid?
The InChIKey is KXRSXLJJKOJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-5-2-3-7(11)9-6(5)4-8(12-9)10(13)14/h2-4,12H,1H3,(H,13,14).
What are the key properties of 7-bromo-4-methyl-1H-indole-2-carboxylic acid?
7-bromo-4-methyl-1H-indole-2-carboxylic acid has a molecular weight of 254.08 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 124706991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).