9H-pyrido[3,4-b]indol-1-ylmethanol

C12H10N2O — CID 5318284

IUPAC9H-pyrido[3,4-b]indol-1-ylmethanol
SMILESOCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-6,14-15H,7H2
InChIKeyXKCXIUDPGSNQIQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.21
Rot. Bonds1

About 9H-pyrido[3,4-b]indol-1-ylmethanol

9H-pyrido[3,4-b]indol-1-ylmethanol (PubChem CID 5318284) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indol-1-ylmethanol.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indol-1-ylmethanol
PubChem CID5318284
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name9H-pyrido[3,4-b]indol-1-ylmethanol
SMILESOCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-6,14-15H,7H2
InChIKeyXKCXIUDPGSNQIQ-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indol-1-ylmethanol?
The IUPAC name of 9H-pyrido[3,4-b]indol-1-ylmethanol (CID 5318284) is 9H-pyrido[3,4-b]indol-1-ylmethanol.
What is the SMILES notation for 9H-pyrido[3,4-b]indol-1-ylmethanol?
The canonical SMILES for 9H-pyrido[3,4-b]indol-1-ylmethanol is OCc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-pyrido[3,4-b]indol-1-ylmethanol?
The InChIKey is XKCXIUDPGSNQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-6,14-15H,7H2.
What are the key properties of 9H-pyrido[3,4-b]indol-1-ylmethanol?
9H-pyrido[3,4-b]indol-1-ylmethanol has a molecular weight of 198.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,4-b]indol-1-ylmethanol is sourced from PubChem (CID 5318284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).