1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide

C16H17ClF3N5O — CID 144839105

IUPAC1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(Cl)c1/C=C/c1cccc(C(F)(F)F)n1.NNC=O
InChIInChI=1S/C15H13ClF3N3.CH4N2O/c1-22(20)13-6-3-5-12(16)11(13)9-8-10-4-2-7-14(21-10)15(17,18)19;2-3-1-4/h2-9H,20H2,1H3;1H,2H2,(H,3,4)/b9-8+;
InChIKeyNQSLKJRIIBOQGV-HRNDJLQDSA-N
MW387.79 g/mol
LogP2.84
Rot. Bonds4

About 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144839105) has the molecular formula C16H17ClF3N5O and a molecular weight of 387.79 g/mol. Its IUPAC name is 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144839105
Molecular FormulaC16H17ClF3N5O
Molecular Weight387.79 g/mol
Exact Mass387.11
IUPAC Name1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCN(N)c1cccc(Cl)c1/C=C/c1cccc(C(F)(F)F)n1.NNC=O
InChIInChI=1S/C15H13ClF3N3.CH4N2O/c1-22(20)13-6-3-5-12(16)11(13)9-8-10-4-2-7-14(21-10)15(17,18)19;2-3-1-4/h2-9H,20H2,1H3;1H,2H2,(H,3,4)/b9-8+;
InChIKeyNQSLKJRIIBOQGV-HRNDJLQDSA-N
XLogP2.84
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144839105) is 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide is CN(N)c1cccc(Cl)c1/C=C/c1cccc(C(F)(F)F)n1.NNC=O.
What is the InChIKey of 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is NQSLKJRIIBOQGV-HRNDJLQDSA-N. The full InChI is InChI=1S/C15H13ClF3N3.CH4N2O/c1-22(20)13-6-3-5-12(16)11(13)9-8-10-4-2-7-14(21-10)15(17,18)19;2-3-1-4/h2-9H,20H2,1H3;1H,2H2,(H,3,4)/b9-8+;.
What are the key properties of 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 387.79 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(E)-2-[6-(trifluoromethyl)-2-pyridinyl]ethenyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).