1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile

C21H11BrF2N2 — CID 16727546

IUPAC1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(Br)c2c1
InChIInChI=1S/C21H11BrF2N2/c22-20-18-11-13(12-25)9-10-26(18)21(15-3-7-17(24)8-4-15)19(20)14-1-5-16(23)6-2-14/h1-11H
InChIKeyQGCUICRMYPSYGF-UHFFFAOYSA-N
MW409.23 g/mol
LogP6.19
Rot. Bonds2

About 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile

1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile (PubChem CID 16727546) has the molecular formula C21H11BrF2N2 and a molecular weight of 409.23 g/mol. Its IUPAC name is 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile.

Molecular Properties

Compound Name1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
PubChem CID16727546
Molecular FormulaC21H11BrF2N2
Molecular Weight409.23 g/mol
Exact Mass408.01
IUPAC Name1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(Br)c2c1
InChIInChI=1S/C21H11BrF2N2/c22-20-18-11-13(12-25)9-10-26(18)21(15-3-7-17(24)8-4-15)19(20)14-1-5-16(23)6-2-14/h1-11H
InChIKeyQGCUICRMYPSYGF-UHFFFAOYSA-N
XLogP6.19
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.23
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10049124
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006441
3-Fluoro-5-(3-pyridin-2-yl-pyrrol-1-yl)-benzonitrile
CID 10171512
1-(4-Fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006440
8-bromo-2-methyl-5-(2-(pyridin-2-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582939
3-(4-Fluorophenyl)-1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]indole
CID 56642433
1-methyl-2-pyridin-3-yl-1H-indole-3-carbonitrile
CID 58215779
1-Benzyl-1H-indole-3-carbonitrile
CID 755331
2-(4-Bromophenyl)indolizine
CID 346940
2-(4-Fluorophenyl)-8-methylindolizine
CID 751731
1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 10252949

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
The IUPAC name of 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile (CID 16727546) is 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile.
What is the SMILES notation for 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
The canonical SMILES for 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile is N#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(Br)c2c1.
What is the InChIKey of 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
The InChIKey is QGCUICRMYPSYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11BrF2N2/c22-20-18-11-13(12-25)9-10-26(18)21(15-3-7-17(24)8-4-15)19(20)14-1-5-16(23)6-2-14/h1-11H.
What are the key properties of 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile has a molecular weight of 409.23 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile is sourced from PubChem (CID 16727546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).