2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide

C14H8F5N3O2 — CID 174755437

IUPAC2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(C(F)(F)F)nc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C14H8F5N3O2/c15-7-2-1-3-8(16)10(7)12(23)11-6(13(24)22-20)4-5-9(21-11)14(17,18)19/h1-5H,20H2,(H,22,24)
InChIKeySAYFYRZGKDRIPC-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.21
Rot. Bonds3

About 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide

2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 174755437) has the molecular formula C14H8F5N3O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID174755437
Molecular FormulaC14H8F5N3O2
Molecular Weight345.23 g/mol
Exact Mass345.05
IUPAC Name2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(C(F)(F)F)nc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C14H8F5N3O2/c15-7-2-1-3-8(16)10(7)12(23)11-6(13(24)22-20)4-5-9(21-11)14(17,18)19/h1-5H,20H2,(H,22,24)
InChIKeySAYFYRZGKDRIPC-UHFFFAOYSA-N
XLogP2.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide (CID 174755437) is 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide is NNC(=O)c1ccc(C(F)(F)F)nc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is SAYFYRZGKDRIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O2/c15-7-2-1-3-8(16)10(7)12(23)11-6(13(24)22-20)4-5-9(21-11)14(17,18)19/h1-5H,20H2,(H,22,24).
What are the key properties of 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide?
2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 345.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorobenzoyl)-6-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 174755437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).