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

C13H16ClF3N4O — CID 110208457

IUPAC1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H16ClF3N4O/c14-10-5-9(13(15,16)17)6-19-11(10)7-21-3-1-8(2-4-21)12(22)20-18/h5-6,8H,1-4,7,18H2,(H,20,22)
InChIKeyCJMPUUZYOZJSHW-UHFFFAOYSA-N
MW336.75 g/mol
LogP1.96
Rot. Bonds3

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

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide (PubChem CID 110208457) has the molecular formula C13H16ClF3N4O and a molecular weight of 336.75 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide
PubChem CID110208457
Molecular FormulaC13H16ClF3N4O
Molecular Weight336.75 g/mol
Exact Mass336.10
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H16ClF3N4O/c14-10-5-9(13(15,16)17)6-19-11(10)7-21-3-1-8(2-4-21)12(22)20-18/h5-6,8H,1-4,7,18H2,(H,20,22)
InChIKeyCJMPUUZYOZJSHW-UHFFFAOYSA-N
XLogP1.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
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'}

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Related Compounds

3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 1472000
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarbohydrazide
CID 544466
US10550105, Example 236
CID 154825913
1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)piperidin-4-one
CID 66545100
1-acetyl-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbohydrazide
CID 2768200
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidinoethyl)acetamide
CID 3816444
1-(2-chloro-4-fluorobenzyl)-N'-[(E)-pyridin-3-ylmethylidene]piperidine-4-carbohydrazide
CID 9673186
3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 1470974
4-[2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-1-carboxylic acid
CID 69106943
8-(3-Chloro-5-methyl-4-pyridinyl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 123304019
3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyridine-2-carbonyl]pyridine-2-carbohydrazide
CID 126720603
N-(6-chloro-3-pyridinyl)-2-ethyl-5,5,5-trifluoro-2-hydrazinylpentanamide
CID 143231366

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide (CID 110208457) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide?
The InChIKey is CJMPUUZYOZJSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4O/c14-10-5-9(13(15,16)17)6-19-11(10)7-21-3-1-8(2-4-21)12(22)20-18/h5-6,8H,1-4,7,18H2,(H,20,22).
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide?
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carbohydrazide has a molecular weight of 336.75 g/mol, XLogP of 1.96, 3 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]methyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 110208457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).