[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine

C13H8ClF3N4O2 — CID 1483166

IUPAC[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
SMILESNN=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4O2/c14-10-5-8(13(15,16)17)6-19-12(10)11(20-18)7-1-3-9(4-2-7)21(22)23/h1-6H,18H2
InChIKeyIBCIESJDAALVFR-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.37
Rot. Bonds3

About [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine

[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine (PubChem CID 1483166) has the molecular formula C13H8ClF3N4O2 and a molecular weight of 344.68 g/mol. Its IUPAC name is [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine.

Molecular Properties

Compound Name[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
PubChem CID1483166
Molecular FormulaC13H8ClF3N4O2
Molecular Weight344.68 g/mol
Exact Mass344.03
IUPAC Name[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
SMILESNN=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4O2/c14-10-5-8(13(15,16)17)6-19-12(10)11(20-18)7-1-3-9(4-2-7)21(22)23/h1-6H,18H2
InChIKeyIBCIESJDAALVFR-UHFFFAOYSA-N
XLogP3.37
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine?
The IUPAC name of [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine (CID 1483166) is [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine.
What is the SMILES notation for [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine?
The canonical SMILES for [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine is NN=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine?
The InChIKey is IBCIESJDAALVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4O2/c14-10-5-8(13(15,16)17)6-19-12(10)11(20-18)7-1-3-9(4-2-7)21(22)23/h1-6H,18H2.
What are the key properties of [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine?
[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine has a molecular weight of 344.68 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine is sourced from PubChem (CID 1483166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).