2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid

C14H12FNO3 — CID 131870062

IUPAC2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(CC(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C14H12FNO3/c1-19-14-11(10-4-2-3-5-12(10)15)6-9(8-16-14)7-13(17)18/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyALUMGGOEWOOPEB-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.52
Rot. Bonds4

About 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid

2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid (PubChem CID 131870062) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
PubChem CID131870062
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(CC(=O)O)cc1-c1ccccc1F
InChIInChI=1S/C14H12FNO3/c1-19-14-11(10-4-2-3-5-12(10)15)6-9(8-16-14)7-13(17)18/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyALUMGGOEWOOPEB-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

[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]methanol
CID 131870314
2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133088994
2-[3-(2-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131870066
3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
CID 117225530
2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314319
2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870438
5-(2-fluorophenyl)-2-methoxypyridine-4-carboxylic acid
CID 46314072
2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314277
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]acetic acid
CID 45138482
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
5-(2-fluorophenyl)-2-methoxy-3-methylpyridine
CID 46312944
2-(6-amino-5-phenyl-3-pyridinyl)acetic acid
CID 119010106

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid (CID 131870062) is 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid is COc1ncc(CC(=O)O)cc1-c1ccccc1F.
What is the InChIKey of 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid?
The InChIKey is ALUMGGOEWOOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-14-11(10-4-2-3-5-12(10)15)6-9(8-16-14)7-13(17)18/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid?
2-[5-(2-fluorophenyl)-6-methoxy-3-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-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 131870062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).