2-(4-fluorophenoxy)pyridine-3-carboxylic acid

C12H8FNO3 — CID 605123

IUPAC2-(4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKeySDZUYDOXBXHDCE-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-fluorophenoxy)pyridine-3-carboxylic acid

2-(4-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 605123) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID605123
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name2-(4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKeySDZUYDOXBXHDCE-UHFFFAOYSA-N
XLogP2.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 65203992
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-(4-fluorophenoxy)pyridin-3-ol
CID 59089126
2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
CID 166523916
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
CID 30925633
2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
CID 11681522
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenoxy)pyridine-3-carboxylic acid (CID 605123) is 2-(4-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is SDZUYDOXBXHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16).
What are the key properties of 2-(4-fluorophenoxy)pyridine-3-carboxylic acid?
2-(4-fluorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 605123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).