3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid

C12H12FN3O3 — CID 105380111

IUPAC3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
SMILESCC(C)n1cc(Oc2nccc(C(=O)O)c2F)cn1
InChIInChI=1S/C12H12FN3O3/c1-7(2)16-6-8(5-15-16)19-11-10(13)9(12(17)18)3-4-14-11/h3-7H,1-2H3,(H,17,18)
InChIKeyOYDYCQMPRLTDGB-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.49
Rot. Bonds4

About 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid

3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid (PubChem CID 105380111) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
PubChem CID105380111
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
SMILESCC(C)n1cc(Oc2nccc(C(=O)O)c2F)cn1
InChIInChI=1S/C12H12FN3O3/c1-7(2)16-6-8(5-15-16)19-11-10(13)9(12(17)18)3-4-14-11/h3-7H,1-2H3,(H,17,18)
InChIKeyOYDYCQMPRLTDGB-UHFFFAOYSA-N
XLogP2.49
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609
6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116804006
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 171364605
3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
CID 116802722
4-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboximidamide
CID 116801560
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid (CID 105380111) is 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid is CC(C)n1cc(Oc2nccc(C(=O)O)c2F)cn1.
What is the InChIKey of 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid?
The InChIKey is OYDYCQMPRLTDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-7(2)16-6-8(5-15-16)19-11-10(13)9(12(17)18)3-4-14-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid?
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid has a molecular weight of 265.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid is sourced from PubChem (CID 105380111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).