1H-benzo[g]indole-2,7,9-tricarboxylic acid

C15H9NO6 — CID 67524541

IUPAC1H-benzo[g]indole-2,7,9-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(ccc3cc(C(=O)O)[nH]c32)c1
InChIInChI=1S/C15H9NO6/c17-13(18)8-3-6-1-2-7-5-10(15(21)22)16-12(7)11(6)9(4-8)14(19)20/h1-5,16H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyDLBFWVVEHGDQNO-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.42
Rot. Bonds3

About 1H-benzo[g]indole-2,7,9-tricarboxylic acid

1H-benzo[g]indole-2,7,9-tricarboxylic acid (PubChem CID 67524541) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 1H-benzo[g]indole-2,7,9-tricarboxylic acid.

Molecular Properties

Compound Name1H-benzo[g]indole-2,7,9-tricarboxylic acid
PubChem CID67524541
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name1H-benzo[g]indole-2,7,9-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(ccc3cc(C(=O)O)[nH]c32)c1
InChIInChI=1S/C15H9NO6/c17-13(18)8-3-6-1-2-7-5-10(15(21)22)16-12(7)11(6)9(4-8)14(19)20/h1-5,16H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyDLBFWVVEHGDQNO-UHFFFAOYSA-N
XLogP2.42
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
1H-benzo[g]indole-2-carboxylic acid
CID 645288
1H-indole-2,4,6-tricarboxylic acid
CID 24729635
8-bromo-2-oxo-1H-quinoline-6-carboxylic acid
CID 82213223
6,7,8,9-tetrahydro-1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid
CID 96611218
CID 67200510
CID 67200510
4-(2,4-dichlorophenyl)-3,5,10,16-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,5,7(11),8,12,14-heptaene-9,13,15-tricarboxylic acid
CID 163985232
7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
7-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 91348892
4,5-bis(oxomethylidene)-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
CID 176540630
5-amino-4-hydroxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
CID 137120090

Frequently Asked Questions

What is the IUPAC name of 1H-benzo[g]indole-2,7,9-tricarboxylic acid?
The IUPAC name of 1H-benzo[g]indole-2,7,9-tricarboxylic acid (CID 67524541) is 1H-benzo[g]indole-2,7,9-tricarboxylic acid.
What is the SMILES notation for 1H-benzo[g]indole-2,7,9-tricarboxylic acid?
The canonical SMILES for 1H-benzo[g]indole-2,7,9-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c2c(ccc3cc(C(=O)O)[nH]c32)c1.
What is the InChIKey of 1H-benzo[g]indole-2,7,9-tricarboxylic acid?
The InChIKey is DLBFWVVEHGDQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO6/c17-13(18)8-3-6-1-2-7-5-10(15(21)22)16-12(7)11(6)9(4-8)14(19)20/h1-5,16H,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 1H-benzo[g]indole-2,7,9-tricarboxylic acid?
1H-benzo[g]indole-2,7,9-tricarboxylic acid has a molecular weight of 299.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[g]indole-2,7,9-tricarboxylic acid is sourced from PubChem (CID 67524541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).