2-methylpyrido[3,4-b]indole-3-carboxylic acid

C13H10N2O2 — CID 10656832

IUPAC2-methylpyrido[3,4-b]indole-3-carboxylic acid
SMILESCn1cc2nc3ccccc3c-2cc1C(=O)O
InChIInChI=1S/C13H10N2O2/c1-15-7-11-9(6-12(15)13(16)17)8-4-2-3-5-10(8)14-11/h2-7H,1H3,(H,16,17)
InChIKeySBBAFANGKJSOIR-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.38
Rot. Bonds1

About 2-methylpyrido[3,4-b]indole-3-carboxylic acid

2-methylpyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 10656832) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-methylpyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name2-methylpyrido[3,4-b]indole-3-carboxylic acid
PubChem CID10656832
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name2-methylpyrido[3,4-b]indole-3-carboxylic acid
SMILESCn1cc2nc3ccccc3c-2cc1C(=O)O
InChIInChI=1S/C13H10N2O2/c1-15-7-11-9(6-12(15)13(16)17)8-4-2-3-5-10(8)14-11/h2-7H,1H3,(H,16,17)
InChIKeySBBAFANGKJSOIR-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 2-methylpyrido[3,4-b]indole-3-carboxylic acid (CID 10656832) is 2-methylpyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 2-methylpyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 2-methylpyrido[3,4-b]indole-3-carboxylic acid is Cn1cc2nc3ccccc3c-2cc1C(=O)O.
What is the InChIKey of 2-methylpyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is SBBAFANGKJSOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-15-7-11-9(6-12(15)13(16)17)8-4-2-3-5-10(8)14-11/h2-7H,1H3,(H,16,17).
What are the key properties of 2-methylpyrido[3,4-b]indole-3-carboxylic acid?
2-methylpyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 10656832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).