N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide

C10H10BrClN2O — CID 169466530

IUPACN-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)ncc1Br
InChIInChI=1S/C10H10BrClN2O/c1-7(15)13-4-2-3-8-5-10(12)14-6-9(8)11/h2-3,5-6H,4H2,1H3,(H,13,15)
InChIKeyCNEZVCWWVMPYOU-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.65
Rot. Bonds3

About N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide

N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169466530) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
PubChem CID169466530
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC NameN-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)ncc1Br
InChIInChI=1S/C10H10BrClN2O/c1-7(15)13-4-2-3-8-5-10(12)14-6-9(8)11/h2-3,5-6H,4H2,1H3,(H,13,15)
InChIKeyCNEZVCWWVMPYOU-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-acetamidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169465856
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]acetamide
CID 169465223
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470634
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
5-bromo-4-(4-bromobut-1-enyl)-2-chloropyridine
CID 170498502
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]but-3-enyl]acetamide
CID 170489798
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide (CID 169466530) is N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(Cl)ncc1Br.
What is the InChIKey of N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is CNEZVCWWVMPYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-7(15)13-4-2-3-8-5-10(12)14-6-9(8)11/h2-3,5-6H,4H2,1H3,(H,13,15).
What are the key properties of N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide?
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 289.56 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).