ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate

C10H10Br2N2O2 — CID 129322780

IUPACethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate
SMILESC=C(Cc1cc(Br)nnc1Br)C(=O)OCC
InChIInChI=1S/C10H10Br2N2O2/c1-3-16-10(15)6(2)4-7-5-8(11)13-14-9(7)12/h5H,2-4H2,1H3
InChIKeyAFTWDMSSDJAGFJ-UHFFFAOYSA-N
MW350.01 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate

ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate (PubChem CID 129322780) has the molecular formula C10H10Br2N2O2 and a molecular weight of 350.01 g/mol. Its IUPAC name is ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate
PubChem CID129322780
Molecular FormulaC10H10Br2N2O2
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Nameethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate
SMILESC=C(Cc1cc(Br)nnc1Br)C(=O)OCC
InChIInChI=1S/C10H10Br2N2O2/c1-3-16-10(15)6(2)4-7-5-8(11)13-14-9(7)12/h5H,2-4H2,1H3
InChIKeyAFTWDMSSDJAGFJ-UHFFFAOYSA-N
XLogP2.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
ethyl 4-(4-bromophenyl)-4-hydroxy-2-methylidenebutanoate
CID 11958195
ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate
CID 10890700
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-[(2-oxochromen-4-yl)methyl]prop-2-enoate
CID 14870004
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-[(4-bromo-2,5-difluoroanilino)methyl]prop-2-enoate
CID 107613453
ethyl 2-[(2,6-dibromoanilino)methyl]prop-2-enoate
CID 107601034
ethyl 2-[(2-sulfanylidene-1,3-dithiol-4-yl)methyl]prop-2-enoate
CID 134954484
ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate
CID 57466037
ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
CID 133098009
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate (CID 129322780) is ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate is C=C(Cc1cc(Br)nnc1Br)C(=O)OCC.
What is the InChIKey of ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate?
The InChIKey is AFTWDMSSDJAGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O2/c1-3-16-10(15)6(2)4-7-5-8(11)13-14-9(7)12/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate?
ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate has a molecular weight of 350.01 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 129322780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).