7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid

C12H10N2O3 — CID 115007774

IUPAC7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid
SMILESCn1c2ccc(O)cc2c2cc(C(=O)O)[nH]c21
InChIInChI=1S/C12H10N2O3/c1-14-10-3-2-6(15)4-7(10)8-5-9(12(16)17)13-11(8)14/h2-5,13,15H,1H3,(H,16,17)
InChIKeyLPSPLXXRYJVSPC-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.06
Rot. Bonds1

About 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid

7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid (PubChem CID 115007774) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid
PubChem CID115007774
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid
SMILESCn1c2ccc(O)cc2c2cc(C(=O)O)[nH]c21
InChIInChI=1S/C12H10N2O3/c1-14-10-3-2-6(15)4-7(10)8-5-9(12(16)17)13-11(8)14/h2-5,13,15H,1H3,(H,16,17)
InChIKeyLPSPLXXRYJVSPC-UHFFFAOYSA-N
XLogP2.06
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
CID 13398396
7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
CID 115007759
2-butyl-5-hydroxy-1-methylindole-3-carboxylic acid
CID 125426095
6-hydroxy-1,2-dimethylquinolin-4-one
CID 130032779
6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one
CID 115028655
N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
CID 12616715
4-(aminomethyl)-6-hydroxy-1-methylquinolin-2-one
CID 115023409
ethane;3-fluoro-1,2-dimethylindol-5-ol
CID 145147289
5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 115109089
1-(5-hydroxy-1-methylindol-3-yl)ethanone
CID 23552929
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
CID 84787286

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid?
The IUPAC name of 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid (CID 115007774) is 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid is Cn1c2ccc(O)cc2c2cc(C(=O)O)[nH]c21.
What is the InChIKey of 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid?
The InChIKey is LPSPLXXRYJVSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-14-10-3-2-6(15)4-7(10)8-5-9(12(16)17)13-11(8)14/h2-5,13,15H,1H3,(H,16,17).
What are the key properties of 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid?
7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 115007774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).