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

C12H8FNO3 — CID 81229679

IUPAC4-(4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1ccc(F)cc1
InChIInChI=1S/C12H8FNO3/c13-8-1-3-9(4-2-8)17-11-5-6-14-7-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeyDZKANGIKMOKWOV-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.71
Rot. Bonds3

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

4-(4-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 81229679) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID81229679
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name4-(4-fluorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1ccc(F)cc1
InChIInChI=1S/C12H8FNO3/c13-8-1-3-9(4-2-8)17-11-5-6-14-7-10(11)12(15)16/h1-7H,(H,15,16)
InChIKeyDZKANGIKMOKWOV-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

4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid
CID 91536532
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
4-(4-bromophenoxy)pyridine-3-carboxamide
CID 147228091
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
CID 81228623
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-fluorophenoxy)pyridine-3-carboxylic acid (CID 81229679) is 4-(4-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is DZKANGIKMOKWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-8-1-3-9(4-2-8)17-11-5-6-14-7-10(11)12(15)16/h1-7H,(H,15,16).
What are the key properties of 4-(4-fluorophenoxy)pyridine-3-carboxylic acid?
4-(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 4-(4-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81229679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).