2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine

C36H20BrClF2N10 — CID 158982742

IUPAC2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
SMILESFc1ccnc(Br)c1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cc(F)ccn3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12
InChIInChI=1S/C18H10FN5.C13H7ClN4.C5H3BrFN/c1-20-17-10-23-16-5-4-12(11-24(16)17)14-3-2-7-22-18(14)15-9-13(19)6-8-21-15;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;6-5-3-4(7)1-2-8-5/h2-11H;2-8H;1-3H
InChIKeyJPEZZWYJRSYKQM-UHFFFAOYSA-N
MW745.98 g/mol
LogP9.73
Rot. Bonds3

About 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine

2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 158982742) has the molecular formula C36H20BrClF2N10 and a molecular weight of 745.98 g/mol. Its IUPAC name is 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID158982742
Molecular FormulaC36H20BrClF2N10
Molecular Weight745.98 g/mol
Exact Mass744.07
IUPAC Name2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
SMILESFc1ccnc(Br)c1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cc(F)ccn3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12
InChIInChI=1S/C18H10FN5.C13H7ClN4.C5H3BrFN/c1-20-17-10-23-16-5-4-12(11-24(16)17)14-3-2-7-22-18(14)15-9-13(19)6-8-21-15;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;6-5-3-4(7)1-2-8-5/h2-11H;2-8H;1-3H
InChIKeyJPEZZWYJRSYKQM-UHFFFAOYSA-N
XLogP9.73
TPSA94.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.98
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-chloro-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)pyridin-2-yl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424587
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 246
CID 156073202
US11420970, Example 221
CID 156073276
US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385
US11420970, Example 237
CID 156073470
US11420970, Example 238
CID 156073473
US11420970, Example 205
CID 164850533
6-Bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 51360081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine (CID 158982742) is 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine is Fc1ccnc(Br)c1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cc(F)ccn3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12.
What is the InChIKey of 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is JPEZZWYJRSYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN5.C13H7ClN4.C5H3BrFN/c1-20-17-10-23-16-5-4-12(11-24(16)17)14-3-2-7-22-18(14)15-9-13(19)6-8-21-15;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;6-5-3-4(7)1-2-8-5/h2-11H;2-8H;1-3H.
What are the key properties of 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 745.98 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoropyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 158982742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).