8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine

C16H13BrFNO — CID 90875594

IUPAC8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine
SMILESCOCc1c(-c2ccc(F)cc2)cc2c(Br)cccn12
InChIInChI=1S/C16H13BrFNO/c1-20-10-16-13(11-4-6-12(18)7-5-11)9-15-14(17)3-2-8-19(15)16/h2-9H,10H2,1H3
InChIKeySGASCTFINNSISI-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.65
Rot. Bonds3

About 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine

8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine (PubChem CID 90875594) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine.

Molecular Properties

Compound Name8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine
PubChem CID90875594
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine
SMILESCOCc1c(-c2ccc(F)cc2)cc2c(Br)cccn12
InChIInChI=1S/C16H13BrFNO/c1-20-10-16-13(11-4-6-12(18)7-5-11)9-15-14(17)3-2-8-19(15)16/h2-9H,10H2,1H3
InChIKeySGASCTFINNSISI-UHFFFAOYSA-N
XLogP4.65
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043823
(1R,3R)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043491
(1R,3S)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043665
(1S,3S)-1-(4-fluorophenyl)-3,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 127043837
8-Fluoro-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
CID 139261391
3-(5-bromo-2-fluorophenyl)-1-methoxy-3-methyl-4H-pyrrolo[1,2-a]pyrazine
CID 68309593
[8-Bromo-2-(4-fluorophenyl)indolizin-3-yl]methanol
CID 91013277
Ethyl 1-bromo-2-(4-fluorophenyl)indolizine-3-carboxylate
CID 101547341
8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 101780897
8-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 122666859
7-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 122666941
7-fluoro-10-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 122666947

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine?
The IUPAC name of 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine (CID 90875594) is 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine.
What is the SMILES notation for 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine?
The canonical SMILES for 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine is COCc1c(-c2ccc(F)cc2)cc2c(Br)cccn12.
What is the InChIKey of 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine?
The InChIKey is SGASCTFINNSISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-20-10-16-13(11-4-6-12(18)7-5-11)9-15-14(17)3-2-8-19(15)16/h2-9H,10H2,1H3.
What are the key properties of 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine?
8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine has a molecular weight of 334.19 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-fluorophenyl)-3-(methoxymethyl)indolizine is sourced from PubChem (CID 90875594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).