3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid

C13H9BrN2O2 — CID 138520788

IUPAC3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid
SMILESCc1nc2c(cc1Br)[nH]c1cc(C(=O)O)ccc12
InChIInChI=1S/C13H9BrN2O2/c1-6-9(14)5-11-12(15-6)8-3-2-7(13(17)18)4-10(8)16-11/h2-5,16H,1H3,(H,17,18)
InChIKeyGHMJOYOODSSMAA-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.49
Rot. Bonds1

About 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid

3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid (PubChem CID 138520788) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid
PubChem CID138520788
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid
SMILESCc1nc2c(cc1Br)[nH]c1cc(C(=O)O)ccc12
InChIInChI=1S/C13H9BrN2O2/c1-6-9(14)5-11-12(15-6)8-3-2-7(13(17)18)4-10(8)16-11/h2-5,16H,1H3,(H,17,18)
InChIKeyGHMJOYOODSSMAA-UHFFFAOYSA-N
XLogP3.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6H-indolo[3,2-b]quinoxaline-8-carboxylic acid
CID 68570338
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid
CID 175633079
7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid
CID 58252507
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
CID 175326506
3-methyl-2-propan-2-yl-9H-pyrido[3,4-b]indol-2-ium-7-carboxylic acid
CID 123187302
2,4-dimethylquinazoline-7-carboxylic acid
CID 143096640
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
4-amino-9H-pyrimido[4,5-b]indole-7-carboxylic acid
CID 175364145
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid
CID 58485160

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid?
The IUPAC name of 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid (CID 138520788) is 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid.
What is the SMILES notation for 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid?
The canonical SMILES for 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid is Cc1nc2c(cc1Br)[nH]c1cc(C(=O)O)ccc12.
What is the InChIKey of 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid?
The InChIKey is GHMJOYOODSSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-6-9(14)5-11-12(15-6)8-3-2-7(13(17)18)4-10(8)16-11/h2-5,16H,1H3,(H,17,18).
What are the key properties of 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid?
3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid has a molecular weight of 305.13 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid is sourced from PubChem (CID 138520788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).