1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide

C12H14ClF3N4O — CID 544466

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H14ClF3N4O/c13-9-5-8(12(14,15)16)6-18-10(9)20-3-1-7(2-4-20)11(21)19-17/h5-7H,1-4,17H2,(H,19,21)
InChIKeyZDPNKLNGDMJWNJ-UHFFFAOYSA-N
MW322.72 g/mol
LogP1.96
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide (PubChem CID 544466) has the molecular formula C12H14ClF3N4O and a molecular weight of 322.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide
PubChem CID544466
Molecular FormulaC12H14ClF3N4O
Molecular Weight322.72 g/mol
Exact Mass322.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H14ClF3N4O/c13-9-5-8(12(14,15)16)6-18-10(9)20-3-1-7(2-4-20)11(21)19-17/h5-7H,1-4,17H2,(H,19,21)
InChIKeyZDPNKLNGDMJWNJ-UHFFFAOYSA-N
XLogP1.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide (CID 544466) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
The InChIKey is ZDPNKLNGDMJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N4O/c13-9-5-8(12(14,15)16)6-18-10(9)20-3-1-7(2-4-20)11(21)19-17/h5-7H,1-4,17H2,(H,19,21).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide has a molecular weight of 322.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 544466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).