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

C12H9FN2O — CID 170621338

IUPAC9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole
SMILESCOc1ccc2[nH]c3cccnc3c2c1F
InChIInChI=1S/C12H9FN2O/c1-16-9-5-4-7-10(11(9)13)12-8(15-7)3-2-6-14-12/h2-6,15H,1H3
InChIKeyMVPKGCOKLXBRBE-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.86
Rot. Bonds1

About 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole

9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole (PubChem CID 170621338) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole
PubChem CID170621338
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole
SMILESCOc1ccc2[nH]c3cccnc3c2c1F
InChIInChI=1S/C12H9FN2O/c1-16-9-5-4-7-10(11(9)13)12-8(15-7)3-2-6-14-12/h2-6,15H,1H3
InChIKeyMVPKGCOKLXBRBE-UHFFFAOYSA-N
XLogP2.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole?
The IUPAC name of 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole (CID 170621338) is 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole?
The canonical SMILES for 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole is COc1ccc2[nH]c3cccnc3c2c1F.
What is the InChIKey of 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole?
The InChIKey is MVPKGCOKLXBRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-16-9-5-4-7-10(11(9)13)12-8(15-7)3-2-6-14-12/h2-6,15H,1H3.
What are the key properties of 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole?
9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole has a molecular weight of 216.22 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 170621338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).