2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid

C14H10Cl3NO2 — CID 116519749

IUPAC2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
SMILESO=C(O)C(Cc1cnc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl3NO2/c15-10-3-1-8(2-4-10)11(14(19)20)5-9-7-18-13(17)6-12(9)16/h1-4,6-7,11H,5H2,(H,19,20)
InChIKeyXEPAZKFINUTXTD-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid

2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid (PubChem CID 116519749) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
PubChem CID116519749
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
SMILESO=C(O)C(Cc1cnc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl3NO2/c15-10-3-1-8(2-4-10)11(14(19)20)5-9-7-18-13(17)6-12(9)16/h1-4,6-7,11H,5H2,(H,19,20)
InChIKeyXEPAZKFINUTXTD-UHFFFAOYSA-N
XLogP4.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.45
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

2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
2-[(4,6-dichloro-3-pyridinyl)methyl]-3-ethoxy-3-oxopropanoic acid
CID 116519906
2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid
CID 83954730
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519709
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
diethyl 2-[(4,6-dichloro-3-pyridinyl)methyl]propanedioate
CID 116519757
5-[(4,6-dichloro-3-pyridinyl)methylsulfanyl]-2-fluorobenzoic acid
CID 116518727
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
dideuterio-(4,6-dichloro-3-pyridinyl)methanol
CID 171364953

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid (CID 116519749) is 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid is O=C(O)C(Cc1cnc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
The InChIKey is XEPAZKFINUTXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c15-10-3-1-8(2-4-10)11(14(19)20)5-9-7-18-13(17)6-12(9)16/h1-4,6-7,11H,5H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid?
2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid has a molecular weight of 330.60 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 116519749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).