4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid

C19H16FNO4 — CID 91057653

IUPAC4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=CC(Oc2ccc(OCc3cccc(F)c3)cc2)=CC1
InChIInChI=1S/C19H16FNO4/c20-15-3-1-2-14(12-15)13-24-16-4-6-17(7-5-16)25-18-8-10-21(11-9-18)19(22)23/h1-10,12H,11,13H2,(H,22,23)
InChIKeyLPUGTYAHPZHJOR-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.17
Rot. Bonds5

About 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid

4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid (PubChem CID 91057653) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid
PubChem CID91057653
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=CC(Oc2ccc(OCc3cccc(F)c3)cc2)=CC1
InChIInChI=1S/C19H16FNO4/c20-15-3-1-2-14(12-15)13-24-16-4-6-17(7-5-16)25-18-8-10-21(11-9-18)19(22)23/h1-10,12H,11,13H2,(H,22,23)
InChIKeyLPUGTYAHPZHJOR-UHFFFAOYSA-N
XLogP4.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-aminopiperidin-3-yl)-4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid;hydrochloride
CID 69378270
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
CID 67411336
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid (CID 91057653) is 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid is O=C(O)N1C=CC(Oc2ccc(OCc3cccc(F)c3)cc2)=CC1.
What is the InChIKey of 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid?
The InChIKey is LPUGTYAHPZHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c20-15-3-1-2-14(12-15)13-24-16-4-6-17(7-5-16)25-18-8-10-21(11-9-18)19(22)23/h1-10,12H,11,13H2,(H,22,23).
What are the key properties of 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid?
4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid has a molecular weight of 341.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorophenyl)methoxy]phenoxy]-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 91057653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).