2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid

C13H9ClFNO2 — CID 131869717

IUPAC2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)cnc1-c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO2/c14-10-5-9(6-12(17)18)13(16-7-10)8-1-3-11(15)4-2-8/h1-5,7H,6H2,(H,17,18)
InChIKeyRCHDVYZXDZBSEM-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.17
Rot. Bonds3

About 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid

2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid (PubChem CID 131869717) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
PubChem CID131869717
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)cnc1-c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO2/c14-10-5-9(6-12(17)18)13(16-7-10)8-1-3-11(15)4-2-8/h1-5,7H,6H2,(H,17,18)
InChIKeyRCHDVYZXDZBSEM-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

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Related Compounds

2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
CID 133088005
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid (CID 131869717) is 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cc(Cl)cnc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid?
The InChIKey is RCHDVYZXDZBSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-10-5-9(6-12(17)18)13(16-7-10)8-1-3-11(15)4-2-8/h1-5,7H,6H2,(H,17,18).
What are the key properties of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid?
2-[5-chloro-2-(4-fluorophenyl)-3-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-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 131869717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).