1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C16H10N2O3 — CID 5488120

IUPAC1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccco2)n1
InChIInChI=1S/C16H10N2O3/c19-16(20)12-8-10-9-4-1-2-5-11(9)17-14(10)15(18-12)13-6-3-7-21-13/h1-8,17H,(H,19,20)
InChIKeyLTTIWDNLMMLJOI-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.67
Rot. Bonds2

About 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 5488120) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID5488120
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccco2)n1
InChIInChI=1S/C16H10N2O3/c19-16(20)12-8-10-9-4-1-2-5-11(9)17-14(10)15(18-12)13-6-3-7-21-13/h1-8,17H,(H,19,20)
InChIKeyLTTIWDNLMMLJOI-UHFFFAOYSA-N
XLogP3.67
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Perlolyrine
CID 160179
Flazin
CID 5377686
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
1-[5-(Methoxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 131751427
3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
4-[5-(7-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 10567482
methyl 1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 5421928
[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol
CID 4867627
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 5488120) is 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccco2)n1.
What is the InChIKey of 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is LTTIWDNLMMLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-16(20)12-8-10-9-4-1-2-5-11(9)17-14(10)15(18-12)13-6-3-7-21-13/h1-8,17H,(H,19,20).
What are the key properties of 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 5488120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).