2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine

C78H74BrClF6N12O11Si2 — CID 172918674

IUPAC2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine
SMILESC#C[Si](C)(C)C.C#Cc1ccc(F)cn1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)c1cc(-c2ccc(F)cn2)on1.C[Si](C)(C)C#Cc1ccc(F)cn1.Fc1ccc(Br)nc1.O=C(O)c1cc(-c2ccc(F)cn2)on1.O=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1.c1ccc(C2CNC2)cc1
InChIInChI=1S/C18H14FN3O2.C11H9FN2O3.C10H12FNSi.C9H5FN2O3.C9H11N.C7H4FN.C5H3BrFN.C5H10Si.C4H6ClNO3/c19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12;1-2-16-11(15)9-5-10(17-14-9)8-4-3-7(12)6-13-8;1-13(2,3)7-6-10-5-4-9(11)8-12-10;10-5-1-2-6(11-4-5)8-3-7(9(13)14)12-15-8;1-2-4-8(5-3-1)9-6-10-7-9;1-2-7-4-3-6(8)5-9-7;6-5-2-1-4(7)3-8-5;1-5-6(2,3)4;1-2-9-4(7)3(5)6-8/h1-9,13H,10-11H2;3-6H,2H2,1H3;4-5,8H,1-3H3;1-4H,(H,13,14);1-5,9-10H,6-7H2;1,3-5H;1-3H;1H,2-4H3;8H,2H2,1H3/b;;;;;;;;6-3-
InChIKeyMEHZCHWROXHPAI-GDAGHBQZSA-N
MW1641.04 g/mol
LogP15.82
Rot. Bonds11

About 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine

2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine (PubChem CID 172918674) has the molecular formula C78H74BrClF6N12O11Si2 and a molecular weight of 1641.04 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine
PubChem CID172918674
Molecular FormulaC78H74BrClF6N12O11Si2
Molecular Weight1641.04 g/mol
Exact Mass1638.39
IUPAC Name2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine
SMILESC#C[Si](C)(C)C.C#Cc1ccc(F)cn1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)c1cc(-c2ccc(F)cn2)on1.C[Si](C)(C)C#Cc1ccc(F)cn1.Fc1ccc(Br)nc1.O=C(O)c1cc(-c2ccc(F)cn2)on1.O=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1.c1ccc(C2CNC2)cc1
InChIInChI=1S/C18H14FN3O2.C11H9FN2O3.C10H12FNSi.C9H5FN2O3.C9H11N.C7H4FN.C5H3BrFN.C5H10Si.C4H6ClNO3/c19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12;1-2-16-11(15)9-5-10(17-14-9)8-4-3-7(12)6-13-8;1-13(2,3)7-6-10-5-4-9(11)8-12-10;10-5-1-2-6(11-4-5)8-3-7(9(13)14)12-15-8;1-2-4-8(5-3-1)9-6-10-7-9;1-2-7-4-3-6(8)5-9-7;6-5-2-1-4(7)3-8-5;1-5-6(2,3)4;1-2-9-4(7)3(5)6-8/h1-9,13H,10-11H2;3-6H,2H2,1H3;4-5,8H,1-3H3;1-4H,(H,13,14);1-5,9-10H,6-7H2;1,3-5H;1-3H;1H,2-4H3;8H,2H2,1H3/b;;;;;;;;6-3-
InChIKeyMEHZCHWROXHPAI-GDAGHBQZSA-N
XLogP15.82
TPSA310.26 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.04
LogP ≤ 515.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine with MolForge

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Launch Full Analysis

Related Compounds

Lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-pyridin-3-yl-1,2-oxazole-3-carboxylate;4-phenylpiperidine;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;pyridin-3-ylboronic acid;5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid;2,2,2-trifluoroacetic acid;hydroxide;hydrate
CID 161333179
lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide
CID 172954186
lithium;potassium;2-bromo-5-chloropyridine;5-chloro-2-ethynylpyridine;2-(5-chloro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-chloro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-chloro-2-pyridinyl)-1,2-oxazole-3-carboxylate;ethynyl(trimethyl)silane;3-phenylazetidine;dihydroxide
CID 172967247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?
The IUPAC name of 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine (CID 172918674) is 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine.
What is the SMILES notation for 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?
The canonical SMILES for 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine is C#C[Si](C)(C)C.C#Cc1ccc(F)cn1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)c1cc(-c2ccc(F)cn2)on1.C[Si](C)(C)C#Cc1ccc(F)cn1.Fc1ccc(Br)nc1.O=C(O)c1cc(-c2ccc(F)cn2)on1.O=C(c1cc(-c2ccc(F)cn2)on1)N1CC(c2ccccc2)C1.c1ccc(C2CNC2)cc1.
What is the InChIKey of 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?
The InChIKey is MEHZCHWROXHPAI-GDAGHBQZSA-N. The full InChI is InChI=1S/C18H14FN3O2.C11H9FN2O3.C10H12FNSi.C9H5FN2O3.C9H11N.C7H4FN.C5H3BrFN.C5H10Si.C4H6ClNO3/c19-14-6-7-15(20-9-14)17-8-16(21-24-17)18(23)22-10-13(11-22)12-4-2-1-3-5-12;1-2-16-11(15)9-5-10(17-14-9)8-4-3-7(12)6-13-8;1-13(2,3)7-6-10-5-4-9(11)8-12-10;10-5-1-2-6(11-4-5)8-3-7(9(13)14)12-15-8;1-2-4-8(5-3-1)9-6-10-7-9;1-2-7-4-3-6(8)5-9-7;6-5-2-1-4(7)3-8-5;1-5-6(2,3)4;1-2-9-4(7)3(5)6-8/h1-9,13H,10-11H2;3-6H,2H2,1H3;4-5,8H,1-3H3;1-4H,(H,13,14);1-5,9-10H,6-7H2;1,3-5H;1-3H;1H,2-4H3;8H,2H2,1H3/b;;;;;;;;6-3-.
What are the key properties of 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine?
2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine has a molecular weight of 1641.04 g/mol, XLogP of 15.82, 11 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-fluoropyridine;ethynyl(trimethyl)silane;2-(5-fluoro-2-pyridinyl)ethynyl-trimethylsilane;5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine is sourced from PubChem (CID 172918674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).