(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine

C17H13Cl2F6N5O — CID 135822331

IUPAC(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine
SMILESO/N=C(/c1ncc(C(F)(F)F)cc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H13Cl2F6N5O/c18-11-5-9(16(20,21)22)7-26-13(11)15(28-31)30-3-1-29(2-4-30)14-12(19)6-10(8-27-14)17(23,24)25/h5-8,31H,1-4H2/b28-15-
InChIKeyWZNOMPBZYBJSKW-MBTHVWNTSA-N
MW488.22 g/mol
LogP4.78
Rot. Bonds2

About (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine

(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine (PubChem CID 135822331) has the molecular formula C17H13Cl2F6N5O and a molecular weight of 488.22 g/mol. Its IUPAC name is (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine
PubChem CID135822331
Molecular FormulaC17H13Cl2F6N5O
Molecular Weight488.22 g/mol
Exact Mass487.04
IUPAC Name(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine
SMILESO/N=C(/c1ncc(C(F)(F)F)cc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H13Cl2F6N5O/c18-11-5-9(16(20,21)22)7-26-13(11)15(28-31)30-3-1-29(2-4-30)14-12(19)6-10(8-27-14)17(23,24)25/h5-8,31H,1-4H2/b28-15-
InChIKeyWZNOMPBZYBJSKW-MBTHVWNTSA-N
XLogP4.78
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 26291024
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(3,5-difluorophenyl)methanone
CID 46680026
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 78781797
(2-aminophenyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946107
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 46562493

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine (CID 135822331) is (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine is O/N=C(/c1ncc(C(F)(F)F)cc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine?
The InChIKey is WZNOMPBZYBJSKW-MBTHVWNTSA-N. The full InChI is InChI=1S/C17H13Cl2F6N5O/c18-11-5-9(16(20,21)22)7-26-13(11)15(28-31)30-3-1-29(2-4-30)14-12(19)6-10(8-27-14)17(23,24)25/h5-8,31H,1-4H2/b28-15-.
What are the key properties of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine?
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine has a molecular weight of 488.22 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135822331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).