[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol

C16H12N2O2 — CID 4867627

IUPAC[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol
SMILESOCc1ccoc1-c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H12N2O2/c19-9-10-6-8-20-16(10)15-14-12(5-7-17-15)11-3-1-2-4-13(11)18-14/h1-8,18-19H,9H2
InChIKeyYFNWKBJECXFSDK-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.47
Rot. Bonds2

About [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol

[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol (PubChem CID 4867627) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol.

Molecular Properties

Compound Name[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol
PubChem CID4867627
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol
SMILESOCc1ccoc1-c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H12N2O2/c19-9-10-6-8-20-16(10)15-14-12(5-7-17-15)11-3-1-2-4-13(11)18-14/h1-8,18-19H,9H2
InChIKeyYFNWKBJECXFSDK-UHFFFAOYSA-N
XLogP3.47
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol?
The IUPAC name of [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol (CID 4867627) is [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol.
What is the SMILES notation for [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol?
The canonical SMILES for [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol is OCc1ccoc1-c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol?
The InChIKey is YFNWKBJECXFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-9-10-6-8-20-16(10)15-14-12(5-7-17-15)11-3-1-2-4-13(11)18-14/h1-8,18-19H,9H2.
What are the key properties of [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol?
[2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol has a molecular weight of 264.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-pyrido[3,4-b]indol-1-yl)furan-3-yl]methanol is sourced from PubChem (CID 4867627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).