2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

C15H13Cl2NO2 — CID 117048305

IUPAC2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-15(14(19)20,8-10-3-2-6-18-9-10)12-5-4-11(16)7-13(12)17/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyTUWYFASEZZTYRS-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.97
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (PubChem CID 117048305) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
PubChem CID117048305
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-15(14(19)20,8-10-3-2-6-18-9-10)12-5-4-11(16)7-13(12)17/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyTUWYFASEZZTYRS-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
CID 117048330
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048315
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963626
2-(2,4-dichlorophenyl)-4-phenyl-2-(pyridin-3-ylmethyl)hexanenitrile
CID 23047293
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048309
3-butan-2-ylsulfanyl-2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 172690319
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (CID 117048305) is 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is CC(Cc1cccnc1)(C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The InChIKey is TUWYFASEZZTYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-15(14(19)20,8-10-3-2-6-18-9-10)12-5-4-11(16)7-13(12)17/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid has a molecular weight of 310.18 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 117048305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).