3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid

C14H11ClFNO2 — CID 83066559

IUPAC3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO2/c15-13-6-1-9(8-17-13)7-12(14(18)19)10-2-4-11(16)5-3-10/h1-6,8,12H,7H2,(H,18,19)
InChIKeyAGUQODVYJCXRNP-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.29
Rot. Bonds4

About 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid

3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid (PubChem CID 83066559) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
PubChem CID83066559
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)nc1)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO2/c15-13-6-1-9(8-17-13)7-12(14(18)19)10-2-4-11(16)5-3-10/h1-6,8,12H,7H2,(H,18,19)
InChIKeyAGUQODVYJCXRNP-UHFFFAOYSA-N
XLogP3.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.29
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

(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid
CID 58110161
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
2-[(5-chloropyrazin-2-yl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 103055126
3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83953274
3-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)propanoic acid
CID 112749439
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid (CID 83066559) is 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Cl)nc1)c1ccc(F)cc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is AGUQODVYJCXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-13-6-1-9(8-17-13)7-12(14(18)19)10-2-4-11(16)5-3-10/h1-6,8,12H,7H2,(H,18,19).
What are the key properties of 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid?
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 279.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 83066559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).