4-(2,6-dichloro-4-pyridinyl)but-3-enamide

C9H8Cl2N2O — CID 170798983

IUPAC4-(2,6-dichloro-4-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-7-4-6(5-8(11)13-7)2-1-3-9(12)14/h1-2,4-5H,3H2,(H2,12,14)
InChIKeyITDIPWSLTSWLOC-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.28
Rot. Bonds3

About 4-(2,6-dichloro-4-pyridinyl)but-3-enamide

4-(2,6-dichloro-4-pyridinyl)but-3-enamide (PubChem CID 170798983) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(2,6-dichloro-4-pyridinyl)but-3-enamide
PubChem CID170798983
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name4-(2,6-dichloro-4-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-7-4-6(5-8(11)13-7)2-1-3-9(12)14/h1-2,4-5H,3H2,(H2,12,14)
InChIKeyITDIPWSLTSWLOC-UHFFFAOYSA-N
XLogP2.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.28
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

4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
5-(4-amino-4-oxobut-1-enyl)-2-chlorobenzoic acid
CID 170798138
4-(5-formyl-3-pyridinyl)but-3-enamide
CID 170797651
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-pyridinyl)but-3-enamide?
The IUPAC name of 4-(2,6-dichloro-4-pyridinyl)but-3-enamide (CID 170798983) is 4-(2,6-dichloro-4-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(2,6-dichloro-4-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(2,6-dichloro-4-pyridinyl)but-3-enamide is NC(=O)CC=Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-(2,6-dichloro-4-pyridinyl)but-3-enamide?
The InChIKey is ITDIPWSLTSWLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-7-4-6(5-8(11)13-7)2-1-3-9(12)14/h1-2,4-5H,3H2,(H2,12,14).
What are the key properties of 4-(2,6-dichloro-4-pyridinyl)but-3-enamide?
4-(2,6-dichloro-4-pyridinyl)but-3-enamide has a molecular weight of 231.08 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-pyridinyl)but-3-enamide is sourced from PubChem (CID 170798983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).