(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide

C9H8Br2N2O — CID 134562646

IUPAC(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
SMILESO=C(/C=C/CBr)Nc1ccc(Br)cn1
InChIInChI=1S/C9H8Br2N2O/c10-5-1-2-9(14)13-8-4-3-7(11)6-12-8/h1-4,6H,5H2,(H,12,13,14)/b2-1+
InChIKeyDMWSJNCDNJGSHD-OWOJBTEDSA-N
MW319.98 g/mol
LogP2.73
Rot. Bonds3

About (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide

(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide (PubChem CID 134562646) has the molecular formula C9H8Br2N2O and a molecular weight of 319.98 g/mol. Its IUPAC name is (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
PubChem CID134562646
Molecular FormulaC9H8Br2N2O
Molecular Weight319.98 g/mol
Exact Mass317.90
IUPAC Name(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
SMILESO=C(/C=C/CBr)Nc1ccc(Br)cn1
InChIInChI=1S/C9H8Br2N2O/c10-5-1-2-9(14)13-8-4-3-7(11)6-12-8/h1-4,6H,5H2,(H,12,13,14)/b2-1+
InChIKeyDMWSJNCDNJGSHD-OWOJBTEDSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
N-(5-bromo-2-pyridinyl)-4-oxo-4-pyrrolidin-1-ylbut-2-enamide
CID 140720494
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 127123442
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
CID 108910850
1-(5-bromo-2-pyridinyl)-3-ethenylurea
CID 108909365
iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
CID 142914833
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 897837
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3489821

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide?
The IUPAC name of (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide (CID 134562646) is (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide.
What is the SMILES notation for (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide?
The canonical SMILES for (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide is O=C(/C=C/CBr)Nc1ccc(Br)cn1.
What is the InChIKey of (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide?
The InChIKey is DMWSJNCDNJGSHD-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8Br2N2O/c10-5-1-2-9(14)13-8-4-3-7(11)6-12-8/h1-4,6H,5H2,(H,12,13,14)/b2-1+.
What are the key properties of (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide?
(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide has a molecular weight of 319.98 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide is sourced from PubChem (CID 134562646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).