N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide

C11H14BrN3O3 — CID 131748278

IUPACN'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide
SMILESCCOC=CC(=O)NNc1ccc(Br)nc1OC
InChIInChI=1S/C11H14BrN3O3/c1-3-18-7-6-10(16)15-14-8-4-5-9(12)13-11(8)17-2/h4-7,14H,3H2,1-2H3,(H,15,16)
InChIKeyWUIJMJHVXQOQNG-UHFFFAOYSA-N
MW316.16 g/mol
LogP1.85
Rot. Bonds6

About N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide

N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide (PubChem CID 131748278) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide.

Molecular Properties

Compound NameN'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide
PubChem CID131748278
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC NameN'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide
SMILESCCOC=CC(=O)NNc1ccc(Br)nc1OC
InChIInChI=1S/C11H14BrN3O3/c1-3-18-7-6-10(16)15-14-8-4-5-9(12)13-11(8)17-2/h4-7,14H,3H2,1-2H3,(H,15,16)
InChIKeyWUIJMJHVXQOQNG-UHFFFAOYSA-N
XLogP1.85
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide?
The IUPAC name of N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide (CID 131748278) is N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide.
What is the SMILES notation for N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide?
The canonical SMILES for N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide is CCOC=CC(=O)NNc1ccc(Br)nc1OC.
What is the InChIKey of N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide?
The InChIKey is WUIJMJHVXQOQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-3-18-7-6-10(16)15-14-8-4-5-9(12)13-11(8)17-2/h4-7,14H,3H2,1-2H3,(H,15,16).
What are the key properties of N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide?
N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide has a molecular weight of 316.16 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide is sourced from PubChem (CID 131748278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).