3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide

C10H12Cl2N2O — CID 142786096

IUPAC3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(Cl)c(Cl)n1)C(N)=O
InChIInChI=1S/C10H12Cl2N2O/c1-10(2,9(13)15)5-6-3-4-7(11)8(12)14-6/h3-4H,5H2,1-2H3,(H2,13,15)
InChIKeyCPXZDXVMMZNVSC-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.44
Rot. Bonds3

About 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide

3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 142786096) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID142786096
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(Cl)c(Cl)n1)C(N)=O
InChIInChI=1S/C10H12Cl2N2O/c1-10(2,9(13)15)5-6-3-4-7(11)8(12)14-6/h3-4H,5H2,1-2H3,(H2,13,15)
InChIKeyCPXZDXVMMZNVSC-UHFFFAOYSA-N
XLogP2.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.44
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

3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 69122207
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
3-[4-chloro-3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]-2,2-dimethylpropanamide
CID 91180065
3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 67077679
2,3-dichloro-6-fluoropyridine;2-fluoroacetic acid
CID 174737503
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
3-amino-2-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899867
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide
CID 13240387

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide (CID 142786096) is 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(Cc1ccc(Cl)c(Cl)n1)C(N)=O.
What is the InChIKey of 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is CPXZDXVMMZNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-10(2,9(13)15)5-6-3-4-7(11)8(12)14-6/h3-4H,5H2,1-2H3,(H2,13,15).
What are the key properties of 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide?
3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 247.12 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 142786096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).