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

C11H8N2O — CID 13233960

IUPAC9H-pyrido[3,4-b]indol-4-ol
SMILESOc1cncc2[nH]c3ccccc3c12
InChIInChI=1S/C11H8N2O/c14-10-6-12-5-9-11(10)7-3-1-2-4-8(7)13-9/h1-6,13-14H
InChIKeyXOCAIVUTJOFHDU-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.42
Rot. Bonds

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

9H-pyrido[3,4-b]indol-4-ol (PubChem CID 13233960) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indol-4-ol.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indol-4-ol
PubChem CID13233960
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name9H-pyrido[3,4-b]indol-4-ol
SMILESOc1cncc2[nH]c3ccccc3c12
InChIInChI=1S/C11H8N2O/c14-10-6-12-5-9-11(10)7-3-1-2-4-8(7)13-9/h1-6,13-14H
InChIKeyXOCAIVUTJOFHDU-UHFFFAOYSA-N
XLogP2.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.42
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-4-ol?
The IUPAC name of 9H-pyrido[3,4-b]indol-4-ol (CID 13233960) is 9H-pyrido[3,4-b]indol-4-ol.
What is the SMILES notation for 9H-pyrido[3,4-b]indol-4-ol?
The canonical SMILES for 9H-pyrido[3,4-b]indol-4-ol is Oc1cncc2[nH]c3ccccc3c12.
What is the InChIKey of 9H-pyrido[3,4-b]indol-4-ol?
The InChIKey is XOCAIVUTJOFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-10-6-12-5-9-11(10)7-3-1-2-4-8(7)13-9/h1-6,13-14H.
What are the key properties of 9H-pyrido[3,4-b]indol-4-ol?
9H-pyrido[3,4-b]indol-4-ol has a molecular weight of 184.20 g/mol, XLogP of 2.42, 0 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-4-ol is sourced from PubChem (CID 13233960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).