(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine

C12H8ClF3N2OS — CID 7097470

IUPAC(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine
SMILESO/N=C\[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c13-9-4-7(12(14,15)16)5-17-11(9)8(6-18-19)10-2-1-3-20-10/h1-6,8,19H/b18-6-/t8-/m1/s1
InChIKeyWPNYDOBITWHMFC-AYSCSTOWSA-N
MW320.72 g/mol
LogP4.41
Rot. Bonds3

About (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine

(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine (PubChem CID 7097470) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine
PubChem CID7097470
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine
SMILESO/N=C\[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c13-9-4-7(12(14,15)16)5-17-11(9)8(6-18-19)10-2-1-3-20-10/h1-6,8,19H/b18-6-/t8-/m1/s1
InChIKeyWPNYDOBITWHMFC-AYSCSTOWSA-N
XLogP4.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetonitrile
CID 4553007
5-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyiminoethyl]-N,N-diethylthiophene-2-sulfonamide
CID 3603123
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
CID 40512676
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 1473781
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine (CID 7097470) is (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine is O/N=C\[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine?
The InChIKey is WPNYDOBITWHMFC-AYSCSTOWSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c13-9-4-7(12(14,15)16)5-17-11(9)8(6-18-19)10-2-1-3-20-10/h1-6,8,19H/b18-6-/t8-/m1/s1.
What are the key properties of (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine?
(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine has a molecular weight of 320.72 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine is sourced from PubChem (CID 7097470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).