6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine

C38H24BrClF2N10 — CID 157095649

IUPAC6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
SMILESCc1nc(Br)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12
InChIInChI=1S/C19H12FN5.C13H7ClN4.C6H5BrFN/c1-12-15(20)6-7-16(24-12)19-14(4-3-9-22-19)13-5-8-17-23-10-18(21-2)25(17)11-13;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;1-4-5(8)2-3-6(7)9-4/h3-11H,1H3;2-8H;2-3H,1H3
InChIKeyAFEIODJRHWNOED-UHFFFAOYSA-N
MW774.03 g/mol
LogP10.35
Rot. Bonds3

About 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine

6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 157095649) has the molecular formula C38H24BrClF2N10 and a molecular weight of 774.03 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID157095649
Molecular FormulaC38H24BrClF2N10
Molecular Weight774.03 g/mol
Exact Mass772.10
IUPAC Name6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
SMILESCc1nc(Br)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12
InChIInChI=1S/C19H12FN5.C13H7ClN4.C6H5BrFN/c1-12-15(20)6-7-16(24-12)19-14(4-3-9-22-19)13-5-8-17-23-10-18(21-2)25(17)11-13;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;1-4-5(8)2-3-6(7)9-4/h3-11H,1H3;2-8H;2-3H,1H3
InChIKeyAFEIODJRHWNOED-UHFFFAOYSA-N
XLogP10.35
TPSA94.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.03
LogP ≤ 510.35
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 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine with MolForge

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Launch Full Analysis

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
3-bromo-5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-propan-2-ylpiperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424525
3-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424625

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine (CID 157095649) is 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine is Cc1nc(Br)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3Cl)cn12.
What is the InChIKey of 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is AFEIODJRHWNOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5.C13H7ClN4.C6H5BrFN/c1-12-15(20)6-7-16(24-12)19-14(4-3-9-22-19)13-5-8-17-23-10-18(21-2)25(17)11-13;1-15-12-7-17-11-5-4-9(8-18(11)12)10-3-2-6-16-13(10)14;1-4-5(8)2-3-6(7)9-4/h3-11H,1H3;2-8H;2-3H,1H3.
What are the key properties of 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine?
6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 774.03 g/mol, XLogP of 10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methylpyridine;6-(2-chloro-3-pyridinyl)-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 157095649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).