N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide

C11H10BrClN2O — CID 102979133

IUPACN-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H10BrClN2O/c1-2-3-4-5-10(16)15-9-6-8(12)7-14-11(9)13/h2-7H,1H3,(H,15,16)
InChIKeyXZMSEYQVFUJYGK-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.57
Rot. Bonds3

About N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide

N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide (PubChem CID 102979133) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide
PubChem CID102979133
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C11H10BrClN2O/c1-2-3-4-5-10(16)15-9-6-8(12)7-14-11(9)13/h2-7H,1H3,(H,15,16)
InChIKeyXZMSEYQVFUJYGK-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 102979268
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
(2E,4E)-N-(5-chloro-2-methylphenyl)hexa-2,4-dienamide
CID 9403286
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
N-(5-bromo-2-chlorophenyl)but-2-enamide
CID 76977308
N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
CID 103753396
N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
CID 102979401
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
CID 174663877

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide (CID 102979133) is N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide?
The InChIKey is XZMSEYQVFUJYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-3-4-5-10(16)15-9-6-8(12)7-14-11(9)13/h2-7H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide?
N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide has a molecular weight of 301.57 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)hexa-2,4-dienamide is sourced from PubChem (CID 102979133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).