6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole

C17H10F2N2 — CID 70509375

IUPAC6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole
SMILESFc1ccc(-c2ccc(F)c3[nH]c4ccncc4c23)cc1
InChIInChI=1S/C17H10F2N2/c18-11-3-1-10(2-4-11)12-5-6-14(19)17-16(12)13-9-20-8-7-15(13)21-17/h1-9,21H
InChIKeyCWJGMDHXOKOKCH-UHFFFAOYSA-N
MW280.28 g/mol
LogP4.66
Rot. Bonds1

About 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole

6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole (PubChem CID 70509375) has the molecular formula C17H10F2N2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole
PubChem CID70509375
Molecular FormulaC17H10F2N2
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole
SMILESFc1ccc(-c2ccc(F)c3[nH]c4ccncc4c23)cc1
InChIInChI=1S/C17H10F2N2/c18-11-3-1-10(2-4-11)12-5-6-14(19)17-16(12)13-9-20-8-7-15(13)21-17/h1-9,21H
InChIKeyCWJGMDHXOKOKCH-UHFFFAOYSA-N
XLogP4.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole (CID 70509375) is 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole is Fc1ccc(-c2ccc(F)c3[nH]c4ccncc4c23)cc1.
What is the InChIKey of 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole?
The InChIKey is CWJGMDHXOKOKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2/c18-11-3-1-10(2-4-11)12-5-6-14(19)17-16(12)13-9-20-8-7-15(13)21-17/h1-9,21H.
What are the key properties of 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole?
6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole has a molecular weight of 280.28 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-(4-fluorophenyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 70509375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).