6-methoxy-5H-pyrido[4,3-b]indole

C12H10N2O — CID 91665960

IUPAC6-methoxy-5H-pyrido[4,3-b]indole
SMILESCOc1cccc2c1[nH]c1ccncc12
InChIInChI=1S/C12H10N2O/c1-15-11-4-2-3-8-9-7-13-6-5-10(9)14-12(8)11/h2-7,14H,1H3
InChIKeyWFOJJWRHFSDUIX-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.72
Rot. Bonds1

About 6-methoxy-5H-pyrido[4,3-b]indole

6-methoxy-5H-pyrido[4,3-b]indole (PubChem CID 91665960) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-methoxy-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-methoxy-5H-pyrido[4,3-b]indole
PubChem CID91665960
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name6-methoxy-5H-pyrido[4,3-b]indole
SMILESCOc1cccc2c1[nH]c1ccncc12
InChIInChI=1S/C12H10N2O/c1-15-11-4-2-3-8-9-7-13-6-5-10(9)14-12(8)11/h2-7,14H,1H3
InChIKeyWFOJJWRHFSDUIX-UHFFFAOYSA-N
XLogP2.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5H-pyrido[4,3-b]indole?
The IUPAC name of 6-methoxy-5H-pyrido[4,3-b]indole (CID 91665960) is 6-methoxy-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-methoxy-5H-pyrido[4,3-b]indole?
The canonical SMILES for 6-methoxy-5H-pyrido[4,3-b]indole is COc1cccc2c1[nH]c1ccncc12.
What is the InChIKey of 6-methoxy-5H-pyrido[4,3-b]indole?
The InChIKey is WFOJJWRHFSDUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-15-11-4-2-3-8-9-7-13-6-5-10(9)14-12(8)11/h2-7,14H,1H3.
What are the key properties of 6-methoxy-5H-pyrido[4,3-b]indole?
6-methoxy-5H-pyrido[4,3-b]indole has a molecular weight of 198.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 91665960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).