6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide

C14H14FN3O2 — CID 107171067

IUPAC6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
SMILESCc1ccc(OCc2cccc(C(=O)NN)n2)cc1F
InChIInChI=1S/C14H14FN3O2/c1-9-5-6-11(7-12(9)15)20-8-10-3-2-4-13(17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyWGQORTZUJGTZLR-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.71
Rot. Bonds4

About 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide

6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 107171067) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID107171067
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
SMILESCc1ccc(OCc2cccc(C(=O)NN)n2)cc1F
InChIInChI=1S/C14H14FN3O2/c1-9-5-6-11(7-12(9)15)20-8-10-3-2-4-13(17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyWGQORTZUJGTZLR-UHFFFAOYSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.71
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-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]benzamide
CID 106908853
6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908806
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-[(4-cyano-2-fluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107668852
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
[3-[4-[2-[4-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238783
N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908554
6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107661620
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide (CID 107171067) is 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide is Cc1ccc(OCc2cccc(C(=O)NN)n2)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is WGQORTZUJGTZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-5-6-11(7-12(9)15)20-8-10-3-2-4-13(17-10)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide?
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 275.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 107171067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).