N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide

C14H12FN3O3 — CID 17439720

IUPACN'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccncc1
InChIInChI=1S/C14H12FN3O3/c15-11-3-1-2-4-12(11)21-9-13(19)17-18-14(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyASTJHOUOMMDOBT-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.06
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide (PubChem CID 17439720) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
PubChem CID17439720
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccncc1
InChIInChI=1S/C14H12FN3O3/c15-11-3-1-2-4-12(11)21-9-13(19)17-18-14(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyASTJHOUOMMDOBT-UHFFFAOYSA-N
XLogP1.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.06
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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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
CID 7809035
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide (CID 17439720) is N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide?
The InChIKey is ASTJHOUOMMDOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-11-3-1-2-4-12(11)21-9-13(19)17-18-14(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide has a molecular weight of 289.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 17439720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).