5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline

C71H51ClF15N17O7 — CID 167619039

IUPAC5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline
SMILESN#Cc1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1.N#Cc1cc([N+](=O)[O-])cnc1Cc1ccc(C(F)(F)F)cc1.N#Cc1cc([N+](=O)[O-])cnc1Cl.Nc1ccc(C(F)(F)F)cc1.Nc1cnc(Cc2ccc(C(F)(F)F)cc2)c(-c2noc(=O)[nH]2)c1.[H]/N=C(\CO)c1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2.C15H14F3N3O.C14H8F3N3O2.C14H10F3N3.C7H6F3N.C6H2ClN3O2/c16-15(17,18)9-3-1-8(2-4-9)5-12-11(6-10(19)7-20-12)13-21-14(23)24-22-13;16-15(17,18)10-3-1-9(2-4-10)5-14-12(13(20)8-22)6-11(19)7-21-14;15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(8-19-13)20(21)22;15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(19)8-20-13;8-7(9,10)5-1-3-6(11)4-2-5;7-6-4(2-8)1-5(3-9-6)10(11)12/h1-4,6-7H,5,19H2,(H,21,22,23);1-4,6-7,20,22H,5,8,19H2;1-4,6,8H,5H2;1-4,6,8H,5,19H2;1-4H,11H2;1,3H/b;20-13+;;;;
InChIKeyMECVOLGZTGNGKE-WVABMSMOSA-N
MW1574.72 g/mol
LogP15.67
Rot. Bonds13

About 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline

5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline (PubChem CID 167619039) has the molecular formula C71H51ClF15N17O7 and a molecular weight of 1574.72 g/mol. Its IUPAC name is 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline
PubChem CID167619039
Molecular FormulaC71H51ClF15N17O7
Molecular Weight1574.72 g/mol
Exact Mass1573.36
IUPAC Name5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline
SMILESN#Cc1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1.N#Cc1cc([N+](=O)[O-])cnc1Cc1ccc(C(F)(F)F)cc1.N#Cc1cc([N+](=O)[O-])cnc1Cl.Nc1ccc(C(F)(F)F)cc1.Nc1cnc(Cc2ccc(C(F)(F)F)cc2)c(-c2noc(=O)[nH]2)c1.[H]/N=C(\CO)c1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2.C15H14F3N3O.C14H8F3N3O2.C14H10F3N3.C7H6F3N.C6H2ClN3O2/c16-15(17,18)9-3-1-8(2-4-9)5-12-11(6-10(19)7-20-12)13-21-14(23)24-22-13;16-15(17,18)10-3-1-9(2-4-10)5-14-12(13(20)8-22)6-11(19)7-21-14;15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(8-19-13)20(21)22;15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(19)8-20-13;8-7(9,10)5-1-3-6(11)4-2-5;7-6-4(2-8)1-5(3-9-6)10(11)12/h1-4,6-7H,5,19H2,(H,21,22,23);1-4,6-7,20,22H,5,8,19H2;1-4,6,8H,5H2;1-4,6,8H,5,19H2;1-4H,11H2;1,3H/b;20-13+;;;;
InChIKeyMECVOLGZTGNGKE-WVABMSMOSA-N
XLogP15.67
TPSA429.15 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.72
LogP ≤ 515.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline with MolForge

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Related Compounds

3-[5-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 167678075
5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
CID 167619040
3-[5-amino-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 167556917
3-[4,6-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 167670156
3-[4-(2-fluoroethoxy)-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 167677565
4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 135797229
3-[2-chloro-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136629682
2-(5-amino-2-chloroanilino)-5-nitropyridine-3-carbonitrile
CID 62099572
2-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678662
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
4-[(5-methyl-3-nitro-2-pyridinyl)methyl]aniline
CID 167495957

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline?
The IUPAC name of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline (CID 167619039) is 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline?
The canonical SMILES for 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline is N#Cc1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1.N#Cc1cc([N+](=O)[O-])cnc1Cc1ccc(C(F)(F)F)cc1.N#Cc1cc([N+](=O)[O-])cnc1Cl.Nc1ccc(C(F)(F)F)cc1.Nc1cnc(Cc2ccc(C(F)(F)F)cc2)c(-c2noc(=O)[nH]2)c1.[H]/N=C(\CO)c1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline?
The InChIKey is MECVOLGZTGNGKE-WVABMSMOSA-N. The full InChI is InChI=1S/C15H11F3N4O2.C15H14F3N3O.C14H8F3N3O2.C14H10F3N3.C7H6F3N.C6H2ClN3O2/c16-15(17,18)9-3-1-8(2-4-9)5-12-11(6-10(19)7-20-12)13-21-14(23)24-22-13;16-15(17,18)10-3-1-9(2-4-10)5-14-12(13(20)8-22)6-11(19)7-21-14;15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(8-19-13)20(21)22;15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(19)8-20-13;8-7(9,10)5-1-3-6(11)4-2-5;7-6-4(2-8)1-5(3-9-6)10(11)12/h1-4,6-7H,5,19H2,(H,21,22,23);1-4,6-7,20,22H,5,8,19H2;1-4,6,8H,5H2;1-4,6,8H,5,19H2;1-4H,11H2;1,3H/b;20-13+;;;;.
What are the key properties of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline?
5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline has a molecular weight of 1574.72 g/mol, XLogP of 15.67, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;2-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-2-iminoethanol;3-[5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one;2-chloro-5-nitropyridine-3-carbonitrile;5-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile;4-(trifluoromethyl)aniline is sourced from PubChem (CID 167619039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).