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

C14H12FNO3 — CID 131869550

IUPAC2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
SMILESCOc1cncc(-c2ccc(F)cc2)c1CC(=O)O
InChIInChI=1S/C14H12FNO3/c1-19-13-8-16-7-12(11(13)6-14(17)18)9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKeyJIMBAQZLSZGVST-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.52
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid (PubChem CID 131869550) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
PubChem CID131869550
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
SMILESCOc1cncc(-c2ccc(F)cc2)c1CC(=O)O
InChIInChI=1S/C14H12FNO3/c1-19-13-8-16-7-12(11(13)6-14(17)18)9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKeyJIMBAQZLSZGVST-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131870032
2-[3-(2-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131870066
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-[3-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]acetic acid
CID 134627185
2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
CID 131870069
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
CID 133105324
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid (CID 131869550) is 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid is COc1cncc(-c2ccc(F)cc2)c1CC(=O)O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid?
The InChIKey is JIMBAQZLSZGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-13-8-16-7-12(11(13)6-14(17)18)9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid?
2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid has a molecular weight of 261.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid is sourced from PubChem (CID 131869550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).