6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline

C28H17Br2FN6 — CID 142454338

IUPAC6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESBrc1ccc2ncc(-c3cnc4ccccc4c3)n2c1.Fc1ccc(-c2cnc3ccc(Br)cn23)cn1
InChIInChI=1S/C16H10BrN3.C12H7BrFN3/c17-13-5-6-16-19-9-15(20(16)10-13)12-7-11-3-1-2-4-14(11)18-8-12;13-9-2-4-12-16-6-10(17(12)7-9)8-1-3-11(14)15-5-8/h1-10H;1-7H
InChIKeySNEPSCFRRXRTPC-UHFFFAOYSA-N
MW616.29 g/mol
LogP7.61
Rot. Bonds2

About 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline

6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline (PubChem CID 142454338) has the molecular formula C28H17Br2FN6 and a molecular weight of 616.29 g/mol. Its IUPAC name is 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline
PubChem CID142454338
Molecular FormulaC28H17Br2FN6
Molecular Weight616.29 g/mol
Exact Mass613.99
IUPAC Name6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESBrc1ccc2ncc(-c3cnc4ccccc4c3)n2c1.Fc1ccc(-c2cnc3ccc(Br)cn23)cn1
InChIInChI=1S/C16H10BrN3.C12H7BrFN3/c17-13-5-6-16-19-9-15(20(16)10-13)12-7-11-3-1-2-4-14(11)18-8-12;13-9-2-4-12-16-6-10(17(12)7-9)8-1-3-11(14)15-5-8/h1-10H;1-7H
InChIKeySNEPSCFRRXRTPC-UHFFFAOYSA-N
XLogP7.61
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.29
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[4-[6-bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
CID 142454337
piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
CID 164625188
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
6-bromo-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835239
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
3-bromoquinoline;hydrobromide
CID 70190019
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
CID 22032276
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
6-bromo-3-(2-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835238
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline?
The IUPAC name of 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline (CID 142454338) is 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline?
The canonical SMILES for 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline is Brc1ccc2ncc(-c3cnc4ccccc4c3)n2c1.Fc1ccc(-c2cnc3ccc(Br)cn23)cn1.
What is the InChIKey of 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline?
The InChIKey is SNEPSCFRRXRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3.C12H7BrFN3/c17-13-5-6-16-19-9-15(20(16)10-13)12-7-11-3-1-2-4-14(11)18-8-12;13-9-2-4-12-16-6-10(17(12)7-9)8-1-3-11(14)15-5-8/h1-10H;1-7H.
What are the key properties of 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline?
6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline has a molecular weight of 616.29 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 142454338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).