1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid

C13H10N2O2 — CID 150065016

IUPAC1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCC1N=C(C(=O)O)C=C2C1=Nc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-7H,1H3,(H,16,17)
InChIKeyDOCCYSMTNMBXOT-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.08
Rot. Bonds1

About 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid

1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 150065016) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID150065016
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCC1N=C(C(=O)O)C=C2C1=Nc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-7H,1H3,(H,16,17)
InChIKeyDOCCYSMTNMBXOT-UHFFFAOYSA-N
XLogP2.08
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 1-(2,2-dimethoxyethyl)-1H-pyrido[3,4-b]indole-3-carboxylate
CID 141421309
1-methyl-1H-carbazole
CID 154092171
1,2-dimethyl-1H-carbazole
CID 173095899
2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 66911604
(3-oxoindol-2-yl) hydrogen carbonate
CID 70554420
2-(3-oxoindol-2-yl)indene-1,3-dione
CID 71426741
(Z)-3-phenyl-2-(1H-pyrido[3,4-b]indol-1-yl)prop-2-enoic acid
CID 131965348
N,N'-dimethyl-N'-(3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
CID 58652780
2-(2-hydroxy-4-oxopent-2-en-3-yl)indol-3-one
CID 135529289
1-ethyl-1H-carbazole
CID 90165080
carbazol-3-one
CID 18980403
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid (CID 150065016) is 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid is CC1N=C(C(=O)O)C=C2C1=Nc1ccccc12.
What is the InChIKey of 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is DOCCYSMTNMBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid?
1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 150065016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).