6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine

C19H12BrClFN3O2S — CID 158445107

IUPAC6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H12BrClFN3O2S/c20-14-1-6-18-23-9-17(25(18)10-14)12-7-13(19(21)24-8-12)11-28(26,27)16-4-2-15(22)3-5-16/h1-10H,11H2
InChIKeyKJHYOJYCNIHQGP-UHFFFAOYSA-N
MW480.75 g/mol
LogP4.93
Rot. Bonds4

About 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine

6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 158445107) has the molecular formula C19H12BrClFN3O2S and a molecular weight of 480.75 g/mol. Its IUPAC name is 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID158445107
Molecular FormulaC19H12BrClFN3O2S
Molecular Weight480.75 g/mol
Exact Mass478.95
IUPAC Name6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H12BrClFN3O2S/c20-14-1-6-18-23-9-17(25(18)10-14)12-7-13(19(21)24-8-12)11-28(26,27)16-4-2-15(22)3-5-16/h1-10H,11H2
InChIKeyKJHYOJYCNIHQGP-UHFFFAOYSA-N
XLogP4.93
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-5-[1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-pyridine
CID 10742004
n-(5-(2-Aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125376
N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 46898104
3-[(3-bromophenyl)sulfonyl]-1-(1-isopropylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435644
6-Bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51361262
6-Bromo-2-(3-chlorophenyl)-3-(3-thenyl)imidazo[1,2-a]pyridine
CID 51361280
N-(2-chloro-5-imidazo[1,2-a]pyridin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 53387411
2-(Benzenesulfonylmethyl)-6-chloro-3-nitro-8-pyridin-4-ylimidazo[1,2-a]pyridine
CID 145986102
2-(Benzenesulfonylmethyl)-6-chloro-3-nitro-8-pyridin-3-ylimidazo[1,2-a]pyridine
CID 145990390
8-Bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine
CID 162671942
N-(2-Chloro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913214
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913311

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine (CID 158445107) is 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine is O=S(=O)(Cc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is KJHYOJYCNIHQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClFN3O2S/c20-14-1-6-18-23-9-17(25(18)10-14)12-7-13(19(21)24-8-12)11-28(26,27)16-4-2-15(22)3-5-16/h1-10H,11H2.
What are the key properties of 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 480.75 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[6-chloro-5-[(4-fluorophenyl)sulfonylmethyl]-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158445107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).