N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine

C13H6Cl3F3N2O — CID 3743948

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,22H
InChIKeyVZCLLMDAMDVQMG-UHFFFAOYSA-N
MW369.56 g/mol
LogP5.29
Rot. Bonds2

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine (PubChem CID 3743948) has the molecular formula C13H6Cl3F3N2O and a molecular weight of 369.56 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
PubChem CID3743948
Molecular FormulaC13H6Cl3F3N2O
Molecular Weight369.56 g/mol
Exact Mass367.95
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,22H
InChIKeyVZCLLMDAMDVQMG-UHFFFAOYSA-N
XLogP5.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine (CID 3743948) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine is ON=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine?
The InChIKey is VZCLLMDAMDVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,22H.
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine has a molecular weight of 369.56 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 3743948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).