N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide

C9H7ClF3N3O — CID 177168077

IUPACN'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide
SMILESC=CC(=O)NNc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C9H7ClF3N3O/c1-2-7(17)16-15-6-4-3-5(8(10)14-6)9(11,12)13/h2-4H,1H2,(H,14,15)(H,16,17)
InChIKeyRJIYIXIRHHNIBX-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.38
Rot. Bonds3

About N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide

N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide (PubChem CID 177168077) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide
PubChem CID177168077
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC NameN'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide
SMILESC=CC(=O)NNc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C9H7ClF3N3O/c1-2-7(17)16-15-6-4-3-5(8(10)14-6)9(11,12)13/h2-4H,1H2,(H,14,15)(H,16,17)
InChIKeyRJIYIXIRHHNIBX-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-Chloro-2-pyridinyl)-1-hydrazinecarboxamide
CID 324447
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
N'-(6-chloropyridin-2-yl)cyclopropanecarbohydrazide
CID 1481420
N'-(6-chloro-2-pyridinyl)-2,6-difluorobenzenecarbohydrazide
CID 1482436
2,2,2-trifluoro-N'-(6-fluoropyridin-2-yl)acetohydrazide
CID 1479667
2-chloro-N'-(6-chloropyridin-2-yl)propanehydrazide
CID 3632034
N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324432
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylprop-2-enehydrazide
CID 3727405
2-chloro-N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324450
N'-(6-chloropyridin-2-yl)-2,2,2-trifluoroacetohydrazide
CID 1485932
6-Chloro-5-(trifluoromethyl)pyridin-2-amine
CID 13064153
2-Amino-6-chloropyridine-4-carbohydrazide
CID 284803

Frequently Asked Questions

What is the IUPAC name of N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide?
The IUPAC name of N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide (CID 177168077) is N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide.
What is the SMILES notation for N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide?
The canonical SMILES for N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide is C=CC(=O)NNc1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide?
The InChIKey is RJIYIXIRHHNIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c1-2-7(17)16-15-6-4-3-5(8(10)14-6)9(11,12)13/h2-4H,1H2,(H,14,15)(H,16,17).
What are the key properties of N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide?
N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide has a molecular weight of 265.62 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide is sourced from PubChem (CID 177168077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).