5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

C84H62Br2F9N19O14 — CID 172928106

IUPAC5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESCOc1ccc(COc2cc(Br)cnc2C#N)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2/C(N)=N/O)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2C#N)cc1.N#Cc1ncc(Br)cc1[N+](=O)[O-].N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1O
InChIInChI=1S/C24H20F3N5O4.C24H17F3N4O3.C16H12F3N5O3.C14H11BrN2O2.C6H2BrN3O2/c1-34-18-8-2-14(3-9-18)13-35-19-10-17(11-29-21(19)22(28)32-33)31-23-30-12-20(36-23)15-4-6-16(7-5-15)24(25,26)27;1-32-19-8-2-15(3-9-19)14-33-21-10-18(12-29-20(21)11-28)31-23-30-13-22(34-23)16-4-6-17(7-5-16)24(25,26)27;17-16(18,19)9-3-1-8(2-4-9)12-7-22-15(27-12)23-10-5-11(25)13(21-6-10)14(20)24-26;1-18-12-4-2-10(3-5-12)9-19-14-6-11(15)8-17-13(14)7-16;7-4-1-6(10(11)12)5(2-8)9-3-4/h2-12,33H,13H2,1H3,(H2,28,32)(H,30,31);2-10,12-13H,14H2,1H3,(H,30,31);1-7,25-26H,(H2,20,24)(H,22,23);2-6,8H,9H2,1H3;1,3H
InChIKeyNRLBRFHYZFKVQH-UHFFFAOYSA-N
MW1892.33 g/mol
LogP19.37
Rot. Bonds24

About 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172928106) has the molecular formula C84H62Br2F9N19O14 and a molecular weight of 1892.33 g/mol. Its IUPAC name is 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID172928106
Molecular FormulaC84H62Br2F9N19O14
Molecular Weight1892.33 g/mol
Exact Mass1889.29
IUPAC Name5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESCOc1ccc(COc2cc(Br)cnc2C#N)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2/C(N)=N/O)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2C#N)cc1.N#Cc1ncc(Br)cc1[N+](=O)[O-].N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1O
InChIInChI=1S/C24H20F3N5O4.C24H17F3N4O3.C16H12F3N5O3.C14H11BrN2O2.C6H2BrN3O2/c1-34-18-8-2-14(3-9-18)13-35-19-10-17(11-29-21(19)22(28)32-33)31-23-30-12-20(36-23)15-4-6-16(7-5-15)24(25,26)27;1-32-19-8-2-15(3-9-19)14-33-21-10-18(12-29-20(21)11-28)31-23-30-13-22(34-23)16-4-6-17(7-5-16)24(25,26)27;17-16(18,19)9-3-1-8(2-4-9)12-7-22-15(27-12)23-10-5-11(25)13(21-6-10)14(20)24-26;1-18-12-4-2-10(3-5-12)9-19-14-6-11(15)8-17-13(14)7-16;7-4-1-6(10(11)12)5(2-8)9-3-4/h2-12,33H,13H2,1H3,(H2,28,32)(H,30,31);2-10,12-13H,14H2,1H3,(H,30,31);1-7,25-26H,(H2,20,24)(H,22,23);2-6,8H,9H2,1H3;1,3H
InChIKeyNRLBRFHYZFKVQH-UHFFFAOYSA-N
XLogP19.37
TPSA485.97 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.33
LogP ≤ 519.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172928106) is 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is COc1ccc(COc2cc(Br)cnc2C#N)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2/C(N)=N/O)cc1.COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2C#N)cc1.N#Cc1ncc(Br)cc1[N+](=O)[O-].N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1O.
What is the InChIKey of 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is NRLBRFHYZFKVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4.C24H17F3N4O3.C16H12F3N5O3.C14H11BrN2O2.C6H2BrN3O2/c1-34-18-8-2-14(3-9-18)13-35-19-10-17(11-29-21(19)22(28)32-33)31-23-30-12-20(36-23)15-4-6-16(7-5-15)24(25,26)27;1-32-19-8-2-15(3-9-19)14-33-21-10-18(12-29-20(21)11-28)31-23-30-13-22(34-23)16-4-6-17(7-5-16)24(25,26)27;17-16(18,19)9-3-1-8(2-4-9)12-7-22-15(27-12)23-10-5-11(25)13(21-6-10)14(20)24-26;1-18-12-4-2-10(3-5-12)9-19-14-6-11(15)8-17-13(14)7-16;7-4-1-6(10(11)12)5(2-8)9-3-4/h2-12,33H,13H2,1H3,(H2,28,32)(H,30,31);2-10,12-13H,14H2,1H3,(H,30,31);1-7,25-26H,(H2,20,24)(H,22,23);2-6,8H,9H2,1H3;1,3H.
What are the key properties of 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1892.33 g/mol, XLogP of 19.37, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-methoxyphenyl)methoxy]pyridine-2-carbonitrile;5-bromo-3-nitropyridine-2-carbonitrile;N',3-dihydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;N'-hydroxy-3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-[(4-methoxyphenyl)methoxy]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172928106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).