(9-benzylpyrido[2,3-b]indol-3-yl)methanol

C19H16N2O — CID 127028086

IUPAC(9-benzylpyrido[2,3-b]indol-3-yl)methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C19H16N2O/c22-13-15-10-17-16-8-4-5-9-18(16)21(19(17)20-11-15)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
InChIKeyYRFOSAPCHQEMIP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.73
Rot. Bonds3

About (9-benzylpyrido[2,3-b]indol-3-yl)methanol

(9-benzylpyrido[2,3-b]indol-3-yl)methanol (PubChem CID 127028086) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (9-benzylpyrido[2,3-b]indol-3-yl)methanol.

Molecular Properties

Compound Name(9-benzylpyrido[2,3-b]indol-3-yl)methanol
PubChem CID127028086
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(9-benzylpyrido[2,3-b]indol-3-yl)methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C19H16N2O/c22-13-15-10-17-16-8-4-5-9-18(16)21(19(17)20-11-15)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
InChIKeyYRFOSAPCHQEMIP-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-benzylpyrido[2,3-b]indol-3-yl)methanol?
The IUPAC name of (9-benzylpyrido[2,3-b]indol-3-yl)methanol (CID 127028086) is (9-benzylpyrido[2,3-b]indol-3-yl)methanol.
What is the SMILES notation for (9-benzylpyrido[2,3-b]indol-3-yl)methanol?
The canonical SMILES for (9-benzylpyrido[2,3-b]indol-3-yl)methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of (9-benzylpyrido[2,3-b]indol-3-yl)methanol?
The InChIKey is YRFOSAPCHQEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-13-15-10-17-16-8-4-5-9-18(16)21(19(17)20-11-15)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2.
What are the key properties of (9-benzylpyrido[2,3-b]indol-3-yl)methanol?
(9-benzylpyrido[2,3-b]indol-3-yl)methanol has a molecular weight of 288.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzylpyrido[2,3-b]indol-3-yl)methanol is sourced from PubChem (CID 127028086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).