2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid

C13H10FNO2 — CID 155509609

IUPAC2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cncc(F)c2)c1
InChIInChI=1S/C13H10FNO2/c14-12-6-11(7-15-8-12)10-3-1-2-9(4-10)5-13(16)17/h1-4,6-8H,5H2,(H,16,17)
InChIKeyZRTDQRAWBJZWEV-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid

2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid (PubChem CID 155509609) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
PubChem CID155509609
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cncc(F)c2)c1
InChIInChI=1S/C13H10FNO2/c14-12-6-11(7-15-8-12)10-3-1-2-9(4-10)5-13(16)17/h1-4,6-8H,5H2,(H,16,17)
InChIKeyZRTDQRAWBJZWEV-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-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[3-(1H-imidazol-5-yl)phenyl]acetic acid
CID 105454152
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid (CID 155509609) is 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid is O=C(O)Cc1cccc(-c2cncc(F)c2)c1.
What is the InChIKey of 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid?
The InChIKey is ZRTDQRAWBJZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-6-11(7-15-8-12)10-3-1-2-9(4-10)5-13(16)17/h1-4,6-8H,5H2,(H,16,17).
What are the key properties of 2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid?
2-[3-(5-fluoro-3-pyridinyl)phenyl]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-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid is sourced from PubChem (CID 155509609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).