2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid

C13H10FNO2 — CID 133094911

IUPAC2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)cc(F)n1
InChIInChI=1S/C13H10FNO2/c14-12-7-10(9-4-2-1-3-5-9)6-11(15-12)8-13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyOAKSVTKIFBLLJB-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid

2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid (PubChem CID 133094911) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid
PubChem CID133094911
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)cc(F)n1
InChIInChI=1S/C13H10FNO2/c14-12-7-10(9-4-2-1-3-5-9)6-11(15-12)8-13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyOAKSVTKIFBLLJB-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.51
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-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
2-chloro-6-fluoro-4-phenylpyridine
CID 118994306
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
CID 84765522
2-(5-phenylpyrimidin-2-yl)acetic acid
CID 83917086
2-(2,7-diphenylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 175016259
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
CID 174526081

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid (CID 133094911) is 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid is O=C(O)Cc1cc(-c2ccccc2)cc(F)n1.
What is the InChIKey of 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid?
The InChIKey is OAKSVTKIFBLLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-7-10(9-4-2-1-3-5-9)6-11(15-12)8-13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid?
2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid has a molecular weight of 231.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 133094911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).