5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine

C62H52Br2F6N14O6 — CID 159795021

IUPAC5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine
SMILESCC(=O)c1ccccn1.COc1ccc(Br)cn1.COc1ccc(C(Br)C(=O)c2ccccn2)cn1.COc1ccc(CC(=O)c2ccccn2)cn1.Cc1ccc(-c2c(-c3ccccn3)nc3cc(C(F)(F)F)cnn23)cn1.Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C18H12F3N5.C13H11BrN2O2.C13H12N2O2.C7H7NO.C6H6BrNO.C5H4F3N3/c1-11-5-6-12(9-23-11)17-16(14-4-2-3-7-22-14)25-15-8-13(18(19,20)21)10-24-26(15)17;1-18-11-6-5-9(8-16-11)12(14)13(17)10-4-2-3-7-15-10;1-17-13-6-5-10(9-15-13)8-12(16)11-4-2-3-7-14-11;1-6(9)7-4-2-3-5-8-7;1-9-6-3-2-5(7)4-8-6;6-5(7,8)3-1-4(9)11-10-2-3/h2-10H,1H3;2-8,12H,1H3;2-7,9H,8H2,1H3;2-5H,1H3;2-4H,1H3;1-2H,(H2,9,11)
InChIKeyNJBBCDHWMPUYMU-UHFFFAOYSA-N
MW1362.99 g/mol
LogP13.11
Rot. Bonds12

About 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine

5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine (PubChem CID 159795021) has the molecular formula C62H52Br2F6N14O6 and a molecular weight of 1362.99 g/mol. Its IUPAC name is 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine
PubChem CID159795021
Molecular FormulaC62H52Br2F6N14O6
Molecular Weight1362.99 g/mol
Exact Mass1360.25
IUPAC Name5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine
SMILESCC(=O)c1ccccn1.COc1ccc(Br)cn1.COc1ccc(C(Br)C(=O)c2ccccn2)cn1.COc1ccc(CC(=O)c2ccccn2)cn1.Cc1ccc(-c2c(-c3ccccn3)nc3cc(C(F)(F)F)cnn23)cn1.Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C18H12F3N5.C13H11BrN2O2.C13H12N2O2.C7H7NO.C6H6BrNO.C5H4F3N3/c1-11-5-6-12(9-23-11)17-16(14-4-2-3-7-22-14)25-15-8-13(18(19,20)21)10-24-26(15)17;1-18-11-6-5-9(8-16-11)12(14)13(17)10-4-2-3-7-15-10;1-17-13-6-5-10(9-15-13)8-12(16)11-4-2-3-7-14-11;1-6(9)7-4-2-3-5-8-7;1-9-6-3-2-5(7)4-8-6;6-5(7,8)3-1-4(9)11-10-2-3/h2-10H,1H3;2-8,12H,1H3;2-7,9H,8H2,1H3;2-5H,1H3;2-4H,1H3;1-2H,(H2,9,11)
InChIKeyNJBBCDHWMPUYMU-UHFFFAOYSA-N
XLogP13.11
TPSA264.01 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.99
LogP ≤ 513.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine with MolForge

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Related Compounds

2-[4-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-amino-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine;3-bromo-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 160802014
6-[2-[6-(Difluoromethyl)pyridin-2-yl]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-[2-(6-methoxypyridin-2-yl)pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 157757402
[7-(2-Bromo-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(6-methoxy-2-pyridinyl)methanone
CID 11531639
[7-(2-Bromo-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(6-methoxy-2-pyridinyl)methanone;[7-(2-chloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(6-methoxy-2-pyridinyl)methanone
CID 87970139
3-(7-Amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
CID 160966471
6-Bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone
CID 165007660
6-Bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 165092776

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine (CID 159795021) is 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine is CC(=O)c1ccccn1.COc1ccc(Br)cn1.COc1ccc(C(Br)C(=O)c2ccccn2)cn1.COc1ccc(CC(=O)c2ccccn2)cn1.Cc1ccc(-c2c(-c3ccccn3)nc3cc(C(F)(F)F)cnn23)cn1.Nc1cc(C(F)(F)F)cnn1.
What is the InChIKey of 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is NJBBCDHWMPUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5.C13H11BrN2O2.C13H12N2O2.C7H7NO.C6H6BrNO.C5H4F3N3/c1-11-5-6-12(9-23-11)17-16(14-4-2-3-7-22-14)25-15-8-13(18(19,20)21)10-24-26(15)17;1-18-11-6-5-9(8-16-11)12(14)13(17)10-4-2-3-7-15-10;1-17-13-6-5-10(9-15-13)8-12(16)11-4-2-3-7-14-11;1-6(9)7-4-2-3-5-8-7;1-9-6-3-2-5(7)4-8-6;6-5(7,8)3-1-4(9)11-10-2-3/h2-10H,1H3;2-8,12H,1H3;2-7,9H,8H2,1H3;2-5H,1H3;2-4H,1H3;1-2H,(H2,9,11).
What are the key properties of 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine?
5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 1362.99 g/mol, XLogP of 13.11, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 159795021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).