5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

C64H48BrF19N20O5 — CID 161489630

IUPAC5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)n[nH]1.Cc1cc(C(F)(F)F)nn1-c1ccc(N)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])nc1.O=[N+]([O-])c1ccc(Br)cn1
InChIInChI=1S/C17H11F5N4O.C17H13F5N4.C10H7F3N4O2.C10H9F3N4.C5H3BrN2O2.C5H5F3N2/c1-9-7-13(17(20,21)22)25-26(9)10-5-6-14(23-8-10)24-16(27)15-11(18)3-2-4-12(15)19;1-10-7-15(17(20,21)22)25-26(10)11-5-6-16(23-8-11)24-9-12-13(18)3-2-4-14(12)19;1-6-4-8(10(11,12)13)15-16(6)7-2-3-9(14-5-7)17(18)19;1-6-4-8(10(11,12)13)16-17(6)7-2-3-9(14)15-5-7;6-4-1-2-5(7-3-4)8(9)10;1-3-2-4(10-9-3)5(6,7)8/h2-8H,1H3,(H,23,24,27);2-8H,9H2,1H3,(H,23,24);2-5H,1H3;2-5H,1H3,(H2,14,15);1-3H;2H,1H3,(H,9,10)
InChIKeyWFKYKJLHYVLJIG-UHFFFAOYSA-N
MW1618.09 g/mol
LogP16.78
Rot. Bonds11

About 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (PubChem CID 161489630) has the molecular formula C64H48BrF19N20O5 and a molecular weight of 1618.09 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
PubChem CID161489630
Molecular FormulaC64H48BrF19N20O5
Molecular Weight1618.09 g/mol
Exact Mass1616.30
IUPAC Name5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)n[nH]1.Cc1cc(C(F)(F)F)nn1-c1ccc(N)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])nc1.O=[N+]([O-])c1ccc(Br)cn1
InChIInChI=1S/C17H11F5N4O.C17H13F5N4.C10H7F3N4O2.C10H9F3N4.C5H3BrN2O2.C5H5F3N2/c1-9-7-13(17(20,21)22)25-26(9)10-5-6-14(23-8-10)24-16(27)15-11(18)3-2-4-12(15)19;1-10-7-15(17(20,21)22)25-26(10)11-5-6-16(23-8-11)24-9-12-13(18)3-2-4-14(12)19;1-6-4-8(10(11,12)13)15-16(6)7-2-3-9(14-5-7)17(18)19;1-6-4-8(10(11,12)13)16-17(6)7-2-3-9(14)15-5-7;6-4-1-2-5(7-3-4)8(9)10;1-3-2-4(10-9-3)5(6,7)8/h2-8H,1H3,(H,23,24,27);2-8H,9H2,1H3,(H,23,24);2-5H,1H3;2-5H,1H3,(H2,14,15);1-3H;2H,1H3,(H,9,10)
InChIKeyWFKYKJLHYVLJIG-UHFFFAOYSA-N
XLogP16.78
TPSA317.84 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.09
LogP ≤ 516.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine with MolForge

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Related Compounds

3-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
CID 159112168
1-(bromomethyl)-4-methylbenzene;carbon dioxide;(13R)-13-methyl-10-oxo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide;1-[(4-methylphenyl)methyl]pyrazol-4-amine;(13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;4-nitro-1H-pyrazole;4-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole
CID 159235944
3,5-bis(trifluoromethyl)-1H-pyrazole;5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-[5-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-2,6-difluorobenzamide;5-bromo-2-nitropyridine
CID 160351257
5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyridin-2-amine;2-methyl-5-(trifluoromethyl)-1H-imidazole;5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-nitropyridine;5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyridin-2-amine
CID 160374070
3-bromo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide
CID 161616718
5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyridin-2-amine;5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-nitropyridine;5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 162101376
N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 159315787
N-[5-(5-bromo-1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-yl]benzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;2-fluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 159448315
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-cyano-3-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-fluoro-3-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-3-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyrimidin-5-ylpyridine-2-carboxamide
CID 159849636
1-(bromomethyl)-2,4-difluorobenzene;carbon dioxide;1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole;1-[(2,4-difluorophenyl)methyl]pyrazol-4-amine;(13R)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide;(13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;4-nitro-1H-pyrazole
CID 160861352
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-cyano-3-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-fluoro-3-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-1H-pyrazol-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-3-ylpyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyrimidin-5-ylpyridine-2-carboxamide
CID 160971225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (CID 161489630) is 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is Cc1cc(C(F)(F)F)n[nH]1.Cc1cc(C(F)(F)F)nn1-c1ccc(N)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])nc1.O=[N+]([O-])c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The InChIKey is WFKYKJLHYVLJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4O.C17H13F5N4.C10H7F3N4O2.C10H9F3N4.C5H3BrN2O2.C5H5F3N2/c1-9-7-13(17(20,21)22)25-26(9)10-5-6-14(23-8-10)24-16(27)15-11(18)3-2-4-12(15)19;1-10-7-15(17(20,21)22)25-26(10)11-5-6-16(23-8-11)24-9-12-13(18)3-2-4-14(12)19;1-6-4-8(10(11,12)13)15-16(6)7-2-3-9(14-5-7)17(18)19;1-6-4-8(10(11,12)13)16-17(6)7-2-3-9(14)15-5-7;6-4-1-2-5(7-3-4)8(9)10;1-3-2-4(10-9-3)5(6,7)8/h2-8H,1H3,(H,23,24,27);2-8H,9H2,1H3,(H,23,24);2-5H,1H3;2-5H,1H3,(H2,14,15);1-3H;2H,1H3,(H,9,10).
What are the key properties of 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine has a molecular weight of 1618.09 g/mol, XLogP of 16.78, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitropyridine;2,6-difluoro-N-[5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[(2,6-difluorophenyl)methyl]-5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;5-methyl-3-(trifluoromethyl)-1H-pyrazole;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-nitropyridine;5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 161489630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).