2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid

C11H10FN3O3 — CID 114034149

IUPAC2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
SMILESCCn1cc(Oc2ncc(F)cc2C(=O)O)cn1
InChIInChI=1S/C11H10FN3O3/c1-2-15-6-8(5-14-15)18-10-9(11(16)17)3-7(12)4-13-10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyJLZDDGBPPHRVFT-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.93
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid

2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034149) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
PubChem CID114034149
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
SMILESCCn1cc(Oc2ncc(F)cc2C(=O)O)cn1
InChIInChI=1S/C11H10FN3O3/c1-2-15-6-8(5-14-15)18-10-9(11(16)17)3-7(12)4-13-10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyJLZDDGBPPHRVFT-UHFFFAOYSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034131
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
2-decoxy-5-fluoropyridine-3-carboxylic acid
CID 172846926
2-(1-ethylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116800744
methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate
CID 114213943
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391771
2-[2-(1-ethylpyrazol-4-yl)oxyethoxy]benzoic acid
CID 116800060
3-(1-ethylpyrazol-4-yl)oxy-4-nitrobenzoic acid
CID 116800786

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid (CID 114034149) is 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid is CCn1cc(Oc2ncc(F)cc2C(=O)O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid?
The InChIKey is JLZDDGBPPHRVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-2-15-6-8(5-14-15)18-10-9(11(16)17)3-7(12)4-13-10/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid?
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid has a molecular weight of 251.22 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).