N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine

C14H9Cl2F3N2O — CID 74057994

IUPACN-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine
SMILESON=C(Cc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2F3N2O/c15-10-3-8(4-11(16)5-10)13(21-22)6-12-2-1-9(7-20-12)14(17,18)19/h1-5,7,22H,6H2
InChIKeyDKBLQXVVVGLBMW-UHFFFAOYSA-N
MW349.14 g/mol
LogP4.83
Rot. Bonds3

About N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine

N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 74057994) has the molecular formula C14H9Cl2F3N2O and a molecular weight of 349.14 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine
PubChem CID74057994
Molecular FormulaC14H9Cl2F3N2O
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC NameN-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine
SMILESON=C(Cc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2F3N2O/c15-10-3-8(4-11(16)5-10)13(21-22)6-12-2-1-9(7-20-12)14(17,18)19/h1-5,7,22H,6H2
InChIKeyDKBLQXVVVGLBMW-UHFFFAOYSA-N
XLogP4.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 54.83
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-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine (CID 74057994) is N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine is ON=C(Cc1ccc(C(F)(F)F)cn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is DKBLQXVVVGLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O/c15-10-3-8(4-11(16)5-10)13(21-22)6-12-2-1-9(7-20-12)14(17,18)19/h1-5,7,22H,6H2.
What are the key properties of N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine?
N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 349.14 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 74057994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).