8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole

C13H11FN2O — CID 71059570

IUPAC8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole
SMILESCOc1cc2[nH]c3cc(C)cnc3c2cc1F
InChIInChI=1S/C13H11FN2O/c1-7-3-11-13(15-6-7)8-4-9(14)12(17-2)5-10(8)16-11/h3-6,16H,1-2H3
InChIKeyFMVHLSXYBDNKTE-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.17
Rot. Bonds1

About 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole

8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole (PubChem CID 71059570) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole
PubChem CID71059570
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole
SMILESCOc1cc2[nH]c3cc(C)cnc3c2cc1F
InChIInChI=1S/C13H11FN2O/c1-7-3-11-13(15-6-7)8-4-9(14)12(17-2)5-10(8)16-11/h3-6,16H,1-2H3
InChIKeyFMVHLSXYBDNKTE-UHFFFAOYSA-N
XLogP3.17
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole?
The IUPAC name of 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole (CID 71059570) is 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole?
The canonical SMILES for 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole is COc1cc2[nH]c3cc(C)cnc3c2cc1F.
What is the InChIKey of 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole?
The InChIKey is FMVHLSXYBDNKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-7-3-11-13(15-6-7)8-4-9(14)12(17-2)5-10(8)16-11/h3-6,16H,1-2H3.
What are the key properties of 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole?
8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole has a molecular weight of 230.24 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methoxy-3-methyl-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 71059570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).