N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide

C14H11F2N3O3 — CID 4827360

IUPACN'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H11F2N3O3/c15-14(16)22-10-6-4-9(5-7-10)12(20)18-19-13(21)11-3-1-2-8-17-11/h1-8,14H,(H,18,20)(H,19,21)
InChIKeyWHWXNANDQARYQD-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.76
Rot. Bonds4

About N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide

N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide (PubChem CID 4827360) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide
PubChem CID4827360
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC NameN'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H11F2N3O3/c15-14(16)22-10-6-4-9(5-7-10)12(20)18-19-13(21)11-3-1-2-8-17-11/h1-8,14H,(H,18,20)(H,19,21)
InChIKeyWHWXNANDQARYQD-UHFFFAOYSA-N
XLogP1.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.76
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 N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide (CID 4827360) is N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide is O=C(NNC(=O)c1ccccn1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide?
The InChIKey is WHWXNANDQARYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-14(16)22-10-6-4-9(5-7-10)12(20)18-19-13(21)11-3-1-2-8-17-11/h1-8,14H,(H,18,20)(H,19,21).
What are the key properties of N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide?
N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide has a molecular weight of 307.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethoxy)benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 4827360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).