2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide

C13H9ClF4N4O — CID 1491763

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NNc1cccc(F)n1
InChIInChI=1S/C13H9ClF4N4O/c14-8-4-7(13(16,17)18)6-19-9(8)5-12(23)22-21-11-3-1-2-10(15)20-11/h1-4,6H,5H2,(H,20,21)(H,22,23)
InChIKeyAQFBSTJKGCSIHY-UHFFFAOYSA-N
MW348.69 g/mol
LogP2.97
Rot. Bonds4

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide (PubChem CID 1491763) has the molecular formula C13H9ClF4N4O and a molecular weight of 348.69 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide
PubChem CID1491763
Molecular FormulaC13H9ClF4N4O
Molecular Weight348.69 g/mol
Exact Mass348.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NNc1cccc(F)n1
InChIInChI=1S/C13H9ClF4N4O/c14-8-4-7(13(16,17)18)6-19-9(8)5-12(23)22-21-11-3-1-2-10(15)20-11/h1-4,6H,5H2,(H,20,21)(H,22,23)
InChIKeyAQFBSTJKGCSIHY-UHFFFAOYSA-N
XLogP2.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.69
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxobutan-2-ylideneamino)acetamide
CID 4679895
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
CID 3848305
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methylpiperazin-1-yl)acetamide
CID 3655511
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide (CID 1491763) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NNc1cccc(F)n1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
The InChIKey is AQFBSTJKGCSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N4O/c14-8-4-7(13(16,17)18)6-19-9(8)5-12(23)22-21-11-3-1-2-10(15)20-11/h1-4,6H,5H2,(H,20,21)(H,22,23).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide has a molecular weight of 348.69 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(6-fluoro-2-pyridinyl)acetohydrazide is sourced from PubChem (CID 1491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).