4-methoxy-9H-pyrido[3,4-b]indol-8-ol

C12H10N2O2 — CID 10798670

IUPAC4-methoxy-9H-pyrido[3,4-b]indol-8-ol
SMILESCOc1cncc2[nH]c3c(O)cccc3c12
InChIInChI=1S/C12H10N2O2/c1-16-10-6-13-5-8-11(10)7-3-2-4-9(15)12(7)14-8/h2-6,14-15H,1H3
InChIKeyCKCCOVUDWGQLEP-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.43
Rot. Bonds1

About 4-methoxy-9H-pyrido[3,4-b]indol-8-ol

4-methoxy-9H-pyrido[3,4-b]indol-8-ol (PubChem CID 10798670) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-methoxy-9H-pyrido[3,4-b]indol-8-ol.

Molecular Properties

Compound Name4-methoxy-9H-pyrido[3,4-b]indol-8-ol
PubChem CID10798670
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-methoxy-9H-pyrido[3,4-b]indol-8-ol
SMILESCOc1cncc2[nH]c3c(O)cccc3c12
InChIInChI=1S/C12H10N2O2/c1-16-10-6-13-5-8-11(10)7-3-2-4-9(15)12(7)14-8/h2-6,14-15H,1H3
InChIKeyCKCCOVUDWGQLEP-UHFFFAOYSA-N
XLogP2.43
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
The IUPAC name of 4-methoxy-9H-pyrido[3,4-b]indol-8-ol (CID 10798670) is 4-methoxy-9H-pyrido[3,4-b]indol-8-ol.
What is the SMILES notation for 4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
The canonical SMILES for 4-methoxy-9H-pyrido[3,4-b]indol-8-ol is COc1cncc2[nH]c3c(O)cccc3c12.
What is the InChIKey of 4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
The InChIKey is CKCCOVUDWGQLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-10-6-13-5-8-11(10)7-3-2-4-9(15)12(7)14-8/h2-6,14-15H,1H3.
What are the key properties of 4-methoxy-9H-pyrido[3,4-b]indol-8-ol?
4-methoxy-9H-pyrido[3,4-b]indol-8-ol has a molecular weight of 214.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9H-pyrido[3,4-b]indol-8-ol is sourced from PubChem (CID 10798670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).