[6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine

C13H14FN3O — CID 146578964

IUPAC[6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine
SMILESCc1cc(OC2=C(F)C=CC=CC2)ncc1NN
InChIInChI=1S/C13H14FN3O/c1-9-7-13(16-8-11(9)17-15)18-12-6-4-2-3-5-10(12)14/h2-5,7-8,17H,6,15H2,1H3
InChIKeyFBTODQYRVRHOGY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.75
Rot. Bonds3

About [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine

[6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine (PubChem CID 146578964) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine
PubChem CID146578964
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine
SMILESCc1cc(OC2=C(F)C=CC=CC2)ncc1NN
InChIInChI=1S/C13H14FN3O/c1-9-7-13(16-8-11(9)17-15)18-12-6-4-2-3-5-10(12)14/h2-5,7-8,17H,6,15H2,1H3
InChIKeyFBTODQYRVRHOGY-UHFFFAOYSA-N
XLogP2.75
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine?
The IUPAC name of [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine (CID 146578964) is [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine is Cc1cc(OC2=C(F)C=CC=CC2)ncc1NN.
What is the InChIKey of [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine?
The InChIKey is FBTODQYRVRHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-7-13(16-8-11(9)17-15)18-12-6-4-2-3-5-10(12)14/h2-5,7-8,17H,6,15H2,1H3.
What are the key properties of [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine?
[6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine has a molecular weight of 247.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorocyclohepta-1,3,5-trien-1-yl)oxy-4-methyl-3-pyridinyl]hydrazine is sourced from PubChem (CID 146578964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).