2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride

C15H12Cl3NO — CID 117049122

IUPAC2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
SMILESCC(Cc1ccncc1)(C(=O)Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3NO/c1-15(14(18)20,9-10-4-6-19-7-5-10)12-8-11(16)2-3-13(12)17/h2-8H,9H2,1H3
InChIKeyUGGQRBVUZPPJPA-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.65
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride

2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride (PubChem CID 117049122) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
PubChem CID117049122
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
SMILESCC(Cc1ccncc1)(C(=O)Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3NO/c1-15(14(18)20,9-10-4-6-19-7-5-10)12-8-11(16)2-3-13(12)17/h2-8H,9H2,1H3
InChIKeyUGGQRBVUZPPJPA-UHFFFAOYSA-N
XLogP4.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049145
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
CID 117049133
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048944
4-(2,2-dimethylpropyl)pyridine
CID 22960904
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999863
2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048965
2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048216
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
2-methyl-3-phenyl-2-(2,3,4-trifluorophenyl)propanoyl chloride
CID 117048253

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride (CID 117049122) is 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride is CC(Cc1ccncc1)(C(=O)Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
The InChIKey is UGGQRBVUZPPJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c1-15(14(18)20,9-10-4-6-19-7-5-10)12-8-11(16)2-3-13(12)17/h2-8H,9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride has a molecular weight of 328.63 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride is sourced from PubChem (CID 117049122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).