6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide

C13H11F2N3O2 — CID 106908806

IUPAC6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H11F2N3O2/c14-8-4-5-12(10(15)6-8)20-7-9-2-1-3-11(17-9)13(19)18-16/h1-6H,7,16H2,(H,18,19)
InChIKeyTZLUOXUEPYVZAO-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.54
Rot. Bonds4

About 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide

6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 106908806) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID106908806
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H11F2N3O2/c14-8-4-5-12(10(15)6-8)20-7-9-2-1-3-11(17-9)13(19)18-16/h1-6H,7,16H2,(H,18,19)
InChIKeyTZLUOXUEPYVZAO-UHFFFAOYSA-N
XLogP1.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.54
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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Related Compounds

6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107668852
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
6-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbohydrazide
CID 107714185
6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239177
6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107661620
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]benzamide
CID 106908853
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
6-[(2-fluoro-4-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903319
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
6-(2-pyridin-2-ylethoxymethyl)pyridine-2-carbohydrazide
CID 106908801

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide (CID 106908806) is 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(COc2ccc(F)cc2F)n1.
What is the InChIKey of 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is TZLUOXUEPYVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-8-4-5-12(10(15)6-8)20-7-9-2-1-3-11(17-9)13(19)18-16/h1-6H,7,16H2,(H,18,19).
What are the key properties of 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide?
6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 279.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).