2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid

C14H12N2O2 — CID 116985962

IUPAC2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
SMILESCn1c2ccncc2c2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H12N2O2/c1-16-12-3-2-9(7-14(17)18)6-10(12)11-8-15-5-4-13(11)16/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUCGVDEFUXBVMMC-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.35
Rot. Bonds2

About 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid

2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid (PubChem CID 116985962) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
PubChem CID116985962
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
SMILESCn1c2ccncc2c2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H12N2O2/c1-16-12-3-2-9(7-14(17)18)6-10(12)11-8-15-5-4-13(11)16/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUCGVDEFUXBVMMC-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one
CID 116985988
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
CID 45157012
2-isoquinolin-6-ylacetic acid
CID 19098542
2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992
N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
CID 142517138
2-(3-cyano-4-pyrrolo[3,2-c]pyridin-1-ylphenyl)acetic acid
CID 90093793
6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole
CID 67988444
3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
CID 137418675
(5-methylpyrido[4,3-b]indol-8-yl)hydrazine
CID 116986023
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid?
The IUPAC name of 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid (CID 116985962) is 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid.
What is the SMILES notation for 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid?
The canonical SMILES for 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid is Cn1c2ccncc2c2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid?
The InChIKey is UCGVDEFUXBVMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16-12-3-2-9(7-14(17)18)6-10(12)11-8-15-5-4-13(11)16/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid?
2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid is sourced from PubChem (CID 116985962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).