6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide

C8H9F2N3O2 — CID 177243780

IUPAC6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide
SMILESCNNC(=O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C8H9F2N3O2/c1-11-13-7(14)5-2-3-6(12-4-5)15-8(9)10/h2-4,8,11H,1H3,(H,13,14)
InChIKeyLEAXUWXSJSEDAD-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.55
Rot. Bonds4

About 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide

6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide (PubChem CID 177243780) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide
PubChem CID177243780
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide
SMILESCNNC(=O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C8H9F2N3O2/c1-11-13-7(14)5-2-3-6(12-4-5)15-8(9)10/h2-4,8,11H,1H3,(H,13,14)
InChIKeyLEAXUWXSJSEDAD-UHFFFAOYSA-N
XLogP0.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide?
The IUPAC name of 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide (CID 177243780) is 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide.
What is the SMILES notation for 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide?
The canonical SMILES for 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide is CNNC(=O)c1ccc(OC(F)F)nc1.
What is the InChIKey of 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide?
The InChIKey is LEAXUWXSJSEDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-11-13-7(14)5-2-3-6(12-4-5)15-8(9)10/h2-4,8,11H,1H3,(H,13,14).
What are the key properties of 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide?
6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide has a molecular weight of 217.18 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N'-methylpyridine-3-carbohydrazide is sourced from PubChem (CID 177243780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).