N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide

C10H11ClF3N3O — CID 171822834

IUPACN'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide
SMILESCC(=O)N(C)NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3O/c1-6(18)17(2)16-5-9-8(11)3-7(4-15-9)10(12,13)14/h3-4,16H,5H2,1-2H3
InChIKeyVKQXLZARYGGXEL-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.24
Rot. Bonds3

About N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide

N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide (PubChem CID 171822834) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide.

Molecular Properties

Compound NameN'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide
PubChem CID171822834
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC NameN'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide
SMILESCC(=O)N(C)NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3O/c1-6(18)17(2)16-5-9-8(11)3-7(4-15-9)10(12,13)14/h3-4,16H,5H2,1-2H3
InChIKeyVKQXLZARYGGXEL-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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]methyl]-N-methylacetohydrazide?
The IUPAC name of N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide (CID 171822834) is N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide.
What is the SMILES notation for N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide?
The canonical SMILES for N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide is CC(=O)N(C)NCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide?
The InChIKey is VKQXLZARYGGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-6(18)17(2)16-5-9-8(11)3-7(4-15-9)10(12,13)14/h3-4,16H,5H2,1-2H3.
What are the key properties of N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide?
N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylacetohydrazide has a molecular weight of 281.67 g/mol, XLogP of 2.24, 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]methyl]-N-methylacetohydrazide is sourced from PubChem (CID 171822834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).