N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide

C10H9ClF3N3O — CID 3727405

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide
SMILESC=CC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3N3O/c1-3-8(18)16-17(2)9-7(11)4-6(5-15-9)10(12,13)14/h3-5H,1H2,2H3,(H,16,18)
InChIKeyDQIKQVXPIGLXOK-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.41
Rot. Bonds3

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide (PubChem CID 3727405) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide
PubChem CID3727405
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide
SMILESC=CC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3N3O/c1-3-8(18)16-17(2)9-7(11)4-6(5-15-9)10(12,13)14/h3-5H,1H2,2H3,(H,16,18)
InChIKeyDQIKQVXPIGLXOK-UHFFFAOYSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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]-N'-methylprop-2-enehydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide (CID 3727405) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide is C=CC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide?
The InChIKey is DQIKQVXPIGLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c1-3-8(18)16-17(2)9-7(11)4-6(5-15-9)10(12,13)14/h3-5H,1H2,2H3,(H,16,18).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methylprop-2-enehydrazide has a molecular weight of 279.65 g/mol, XLogP of 2.41, 3 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]-N'-methylprop-2-enehydrazide is sourced from PubChem (CID 3727405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).