2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide

C78H69BrF2N14O10 — CID 159014886

IUPAC2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide
SMILESCON(C)C(=O)C1CC1.Fc1ccc(Br)nc1.N#Cc1ccc(O)cc1.N#Cc1ccc(Oc2ccc(C(=O)C3CC3)nc2)cc1.N#Cc1ccc(Oc2ccc(C(O)(Cn3cnnn3)C3CC3)nc2)cc1.N#Cc1ccc(Oc2ccc(C3(C4CC4)CO3)nc2)cc1.O=C(c1ccc(F)cn1)C1CC1
InChIInChI=1S/C18H16N6O2.C17H14N2O2.C16H12N2O2.C9H8FNO.C7H5NO.C6H11NO2.C5H3BrFN/c19-9-13-1-5-15(6-2-13)26-16-7-8-17(20-10-16)18(25,14-3-4-14)11-24-12-21-22-23-24;18-9-12-1-5-14(6-2-12)21-15-7-8-16(19-10-15)17(11-20-17)13-3-4-13;17-9-11-1-5-13(6-2-11)20-14-7-8-15(18-10-14)16(19)12-3-4-12;10-7-3-4-8(11-5-7)9(12)6-1-2-6;8-5-6-1-3-7(9)4-2-6;1-7(9-2)6(8)5-3-4-5;6-5-2-1-4(7)3-8-5/h1-2,5-8,10,12,14,25H,3-4,11H2;1-2,5-8,10,13H,3-4,11H2;1-2,5-8,10,12H,3-4H2;3-6H,1-2H2;1-4,9H;5H,3-4H2,1-2H3;1-3H
InChIKeyJSYQOEDEQDMGRI-UHFFFAOYSA-N
MW1480.40 g/mol
LogP14.23
Rot. Bonds18

About 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide

2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide (PubChem CID 159014886) has the molecular formula C78H69BrF2N14O10 and a molecular weight of 1480.40 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide
PubChem CID159014886
Molecular FormulaC78H69BrF2N14O10
Molecular Weight1480.40 g/mol
Exact Mass1478.45
IUPAC Name2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide
SMILESCON(C)C(=O)C1CC1.Fc1ccc(Br)nc1.N#Cc1ccc(O)cc1.N#Cc1ccc(Oc2ccc(C(=O)C3CC3)nc2)cc1.N#Cc1ccc(Oc2ccc(C(O)(Cn3cnnn3)C3CC3)nc2)cc1.N#Cc1ccc(Oc2ccc(C3(C4CC4)CO3)nc2)cc1.O=C(c1ccc(F)cn1)C1CC1
InChIInChI=1S/C18H16N6O2.C17H14N2O2.C16H12N2O2.C9H8FNO.C7H5NO.C6H11NO2.C5H3BrFN/c19-9-13-1-5-15(6-2-13)26-16-7-8-17(20-10-16)18(25,14-3-4-14)11-24-12-21-22-23-24;18-9-12-1-5-14(6-2-12)21-15-7-8-16(19-10-15)17(11-20-17)13-3-4-13;17-9-11-1-5-13(6-2-11)20-14-7-8-15(18-10-14)16(19)12-3-4-12;10-7-3-4-8(11-5-7)9(12)6-1-2-6;8-5-6-1-3-7(9)4-2-6;1-7(9-2)6(8)5-3-4-5;6-5-2-1-4(7)3-8-5/h1-2,5-8,10,12,14,25H,3-4,11H2;1-2,5-8,10,13H,3-4,11H2;1-2,5-8,10,12H,3-4H2;3-6H,1-2H2;1-4,9H;5H,3-4H2,1-2H3;1-3H
InChIKeyJSYQOEDEQDMGRI-UHFFFAOYSA-N
XLogP14.23
TPSA347.57 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.40
LogP ≤ 514.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide with MolForge

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Related Compounds

6-Bromopyridin-3-ol;4-[(6-bromo-3-pyridinyl)oxy]benzonitrile;2,4-difluoro-1-iodobenzene;4-[[6-[2-(2,4-difluorophenyl)-2,2-difluoroacetyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[1-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propan-2-yl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-[(2,4-difluorophenyl)-difluoromethyl]oxiran-2-yl]-3-pyridinyl]oxy]benzonitrile;ethyl 2-(2,4-difluorophenyl)-2,2-difluoroacetate;4-fluorobenzonitrile;methane
CID 157612138
6-Bromopyridin-3-ol;4-[(6-bromo-3-pyridinyl)oxy]benzonitrile;2,4-difluoro-1-iodobenzene;4-[[6-[2-(2,4-difluorophenyl)-2,2-difluoroacetyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[1-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propan-2-yl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-[(2,4-difluorophenyl)-difluoromethyl]oxiran-2-yl]-3-pyridinyl]oxy]benzonitrile;ethyl 2-(2,4-difluorophenyl)-2,2-difluoroacetate;4-fluorobenzonitrile
CID 160105309
2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
CID 160886272
2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;methane;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
CID 161580092
1-(Bromomethyl)-4-chloro-2-fluorobenzene;2-(4-chloro-2-fluorophenyl)-1-[5-(4-chlorophenoxy)-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-(4-chlorophenoxy)-2-pyridinyl]ethanone;1-(4-chloro-2-fluorophenyl)-2-[5-(4-chlorophenoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine;4-chlorophenol;5-(4-chlorophenoxy)pyridine-2-carbaldehyde;5-(4-chlorophenoxy)pyridine-2-carbonitrile;5-fluoropyridine-2-carbonitrile
CID 159244491
2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid
CID 160694256

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide?
The IUPAC name of 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide (CID 159014886) is 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide.
What is the SMILES notation for 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide?
The canonical SMILES for 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide is CON(C)C(=O)C1CC1.Fc1ccc(Br)nc1.N#Cc1ccc(O)cc1.N#Cc1ccc(Oc2ccc(C(=O)C3CC3)nc2)cc1.N#Cc1ccc(Oc2ccc(C(O)(Cn3cnnn3)C3CC3)nc2)cc1.N#Cc1ccc(Oc2ccc(C3(C4CC4)CO3)nc2)cc1.O=C(c1ccc(F)cn1)C1CC1.
What is the InChIKey of 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide?
The InChIKey is JSYQOEDEQDMGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2.C17H14N2O2.C16H12N2O2.C9H8FNO.C7H5NO.C6H11NO2.C5H3BrFN/c19-9-13-1-5-15(6-2-13)26-16-7-8-17(20-10-16)18(25,14-3-4-14)11-24-12-21-22-23-24;18-9-12-1-5-14(6-2-12)21-15-7-8-16(19-10-15)17(11-20-17)13-3-4-13;17-9-11-1-5-13(6-2-11)20-14-7-8-15(18-10-14)16(19)12-3-4-12;10-7-3-4-8(11-5-7)9(12)6-1-2-6;8-5-6-1-3-7(9)4-2-6;1-7(9-2)6(8)5-3-4-5;6-5-2-1-4(7)3-8-5/h1-2,5-8,10,12,14,25H,3-4,11H2;1-2,5-8,10,13H,3-4,11H2;1-2,5-8,10,12H,3-4H2;3-6H,1-2H2;1-4,9H;5H,3-4H2,1-2H3;1-3H.
What are the key properties of 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide?
2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide has a molecular weight of 1480.40 g/mol, XLogP of 14.23, 18 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine;4-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]benzonitrile;cyclopropyl-(5-fluoro-2-pyridinyl)methanone;4-[[6-[1-cyclopropyl-1-hydroxy-2-(tetrazol-1-yl)ethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-(2-cyclopropyloxiran-2-yl)-3-pyridinyl]oxy]benzonitrile;4-hydroxybenzonitrile;N-methoxy-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 159014886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).