(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine

C7H4ClF3N2O — CID 136676474

IUPAC(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-5-1-4(7(9,10)11)2-12-6(5)3-13-14/h1-3,14H/b13-3-
InChIKeyKXUNVNMUPGNMEG-DXNYSGJVSA-N
MW224.57 g/mol
LogP2.56
Rot. Bonds1

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

(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 136676474) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
PubChem CID136676474
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-5-1-4(7(9,10)11)2-12-6(5)3-13-14/h1-3,14H/b13-3-
InChIKeyKXUNVNMUPGNMEG-DXNYSGJVSA-N
XLogP2.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 52.56
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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Related Compounds

3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
N-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methylidene]hydroxylamine
CID 154110999
(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
CID 20850729
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine
CID 135229191
2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
CID 1486861
(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine
CID 7097470
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
(NE)-N-[[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-4-methylsulfonylpyrazol-3-yl]methylidene]hydroxylamine
CID 135696630

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine (CID 136676474) is (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine is O/N=C\c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is KXUNVNMUPGNMEG-DXNYSGJVSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-5-1-4(7(9,10)11)2-12-6(5)3-13-14/h1-3,14H/b13-3-.
What are the key properties of (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 224.57 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 136676474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).