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

C13H10FNO2 — CID 46314293

IUPAC2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(F)c2)ccn1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-9(6-11)10-4-5-15-12(7-10)8-13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyMZTPTGODAJLPKK-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

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

2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 46314293) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID46314293
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(F)c2)ccn1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-9(6-11)10-4-5-15-12(7-10)8-13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyMZTPTGODAJLPKK-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

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Related Compounds

2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
2-[6-(3-fluorophenyl)-5H-imidazo[1,2-b]pyrazol-2-yl]acetic acid
CID 82590186
2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid
CID 82382049
2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid
CID 133094911
2-(4-imidazo[1,2-c]pyrimidin-5-yl-2-pyridinyl)acetic acid
CID 82381517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid (CID 46314293) is 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2cccc(F)c2)ccn1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is MZTPTGODAJLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-3-1-2-9(6-11)10-4-5-15-12(7-10)8-13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid?
2-[4-(3-fluorophenyl)-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-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).