2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid

C67H60F7N7O11S — CID 172965999

IUPAC2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
SMILESCOC(=O)/C(=N/O)c1ccccn1.COC(=O)Cc1ccccn1.CSF.NC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C18H11F3O2.C8H8N2O3.C8H9NO2.C7H10N2O.CH3FS/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;19-18(20,21)14-7-4-11(5-8-14)15-3-1-2-12-10-13(17(22)23)6-9-16(12)15;1-13-8(11)7(10-12)6-4-2-3-5-9-6;1-11-8(10)6-7-4-2-3-5-9-7;8-6(5-10)7-3-1-2-4-9-7;1-3-2/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);2-5,12H,1H3;2-5H,6H2,1H3;1-4,6,10H,5,8H2;1H3/b;;10-7+;;;
InChIKeySZZWYXASPGQPAV-ZVNHRTAISA-N
MW1304.31 g/mol
LogP13.27
Rot. Bonds14

About 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid

2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid (PubChem CID 172965999) has the molecular formula C67H60F7N7O11S and a molecular weight of 1304.31 g/mol. Its IUPAC name is 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
PubChem CID172965999
Molecular FormulaC67H60F7N7O11S
Molecular Weight1304.31 g/mol
Exact Mass1303.40
IUPAC Name2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
SMILESCOC(=O)/C(=N/O)c1ccccn1.COC(=O)Cc1ccccn1.CSF.NC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C18H11F3O2.C8H8N2O3.C8H9NO2.C7H10N2O.CH3FS/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;19-18(20,21)14-7-4-11(5-8-14)15-3-1-2-12-10-13(17(22)23)6-9-16(12)15;1-13-8(11)7(10-12)6-4-2-3-5-9-6;1-11-8(10)6-7-4-2-3-5-9-7;8-6(5-10)7-3-1-2-4-9-7;1-3-2/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);2-5,12H,1H3;2-5H,6H2,1H3;1-4,6,10H,5,8H2;1H3/b;;10-7+;;;
InChIKeySZZWYXASPGQPAV-ZVNHRTAISA-N
XLogP13.27
TPSA278.86 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001304.31
LogP ≤ 513.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'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-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid with MolForge

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Related Compounds

4-(2-{[7-(5-Phenyl-pyridin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 44352316
N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213929
N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213960
N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213985
N-(3-hydroxy-1-pyridin-2-ylpropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213987
N-[(1S)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214074
N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214116
(2S)-3-(4-phenylphenyl)-2-[[7-[[4-(trifluoromethyl)phenyl]methoxy]isoquinoline-3-carbonyl]amino]propanoic acid
CID 57717837
3-(4-Phenylphenyl)-3-[[7-[[4-(trifluoromethyl)phenyl]methoxy]isoquinoline-3-carbonyl]amino]propanoic acid
CID 68871285
3-[[4-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]-2-methylpropyl]benzoyl]amino]propanoic acid;3-[[4-[1-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]pentyl]benzoyl]amino]propanoic acid
CID 87515794
Ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 143253252

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid (CID 172965999) is 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid is COC(=O)/C(=N/O)c1ccccn1.COC(=O)Cc1ccccn1.CSF.NC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid?
The InChIKey is SZZWYXASPGQPAV-ZVNHRTAISA-N. The full InChI is InChI=1S/C25H19F3N2O3.C18H11F3O2.C8H8N2O3.C8H9NO2.C7H10N2O.CH3FS/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;19-18(20,21)14-7-4-11(5-8-14)15-3-1-2-12-10-13(17(22)23)6-9-16(12)15;1-13-8(11)7(10-12)6-4-2-3-5-9-6;1-11-8(10)6-7-4-2-3-5-9-7;8-6(5-10)7-3-1-2-4-9-7;1-3-2/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);2-5,12H,1H3;2-5H,6H2,1H3;1-4,6,10H,5,8H2;1H3/b;;10-7+;;;.
What are the key properties of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid?
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid has a molecular weight of 1304.31 g/mol, XLogP of 13.27, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate;methyl 2-pyridin-2-ylacetate;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 172965999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).