1-methyl-9H-pyrido[3,4-b]indol-6-ol

C12H10N2O — CID 10943454

IUPAC1-methyl-9H-pyrido[3,4-b]indol-6-ol
SMILESCc1nccc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C12H10N2O/c1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12/h2-6,14-15H,1H3
InChIKeyQMMOFTKCULGVPS-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.73
Rot. Bonds

About 1-methyl-9H-pyrido[3,4-b]indol-6-ol

1-methyl-9H-pyrido[3,4-b]indol-6-ol (PubChem CID 10943454) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methyl-9H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1-methyl-9H-pyrido[3,4-b]indol-6-ol
PubChem CID10943454
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-methyl-9H-pyrido[3,4-b]indol-6-ol
SMILESCc1nccc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C12H10N2O/c1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12/h2-6,14-15H,1H3
InChIKeyQMMOFTKCULGVPS-UHFFFAOYSA-N
XLogP2.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-pyrido[3,4-b]indol-6-ol?
The IUPAC name of 1-methyl-9H-pyrido[3,4-b]indol-6-ol (CID 10943454) is 1-methyl-9H-pyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1-methyl-9H-pyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1-methyl-9H-pyrido[3,4-b]indol-6-ol is Cc1nccc2c1[nH]c1ccc(O)cc12.
What is the InChIKey of 1-methyl-9H-pyrido[3,4-b]indol-6-ol?
The InChIKey is QMMOFTKCULGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12/h2-6,14-15H,1H3.
What are the key properties of 1-methyl-9H-pyrido[3,4-b]indol-6-ol?
1-methyl-9H-pyrido[3,4-b]indol-6-ol has a molecular weight of 198.22 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 10943454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).