2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid

C13H9ClFNO2 — CID 131870429

IUPAC2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C13H9ClFNO2/c14-13-11(8-1-3-9(15)4-2-8)6-5-10(16-13)7-12(17)18/h1-6H,7H2,(H,17,18)
InChIKeyFHLBXNKAKMJVHT-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.17
Rot. Bonds3

About 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid

2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 131870429) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID131870429
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C13H9ClFNO2/c14-13-11(8-1-3-9(15)4-2-8)6-5-10(16-13)7-12(17)18/h1-6H,7H2,(H,17,18)
InChIKeyFHLBXNKAKMJVHT-UHFFFAOYSA-N
XLogP3.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.17
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-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720
2-(6-chloro-5-hydroxy-2-pyridinyl)acetic acid
CID 82602547
2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
CID 131870394
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
2-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23089929
2-[5-(4-fluorophenyl)-2-methyl-6-(4-methylsulfanylphenyl)-3-pyridinyl]acetic acid
CID 54213920
2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid (CID 131870429) is 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(-c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is FHLBXNKAKMJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-13-11(8-1-3-9(15)4-2-8)6-5-10(16-13)7-12(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 265.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 131870429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).