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

C13H15N3O3 — CID 116804006

IUPAC6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H15N3O3/c1-8(2)16-7-10(6-14-16)19-12-11(13(17)18)5-4-9(3)15-12/h4-8H,1-3H3,(H,17,18)
InChIKeyWETGUIRWCFABSX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.66
Rot. Bonds4

About 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid

6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid (PubChem CID 116804006) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
PubChem CID116804006
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H15N3O3/c1-8(2)16-7-10(6-14-16)19-12-11(13(17)18)5-4-9(3)15-12/h4-8H,1-3H3,(H,17,18)
InChIKeyWETGUIRWCFABSX-UHFFFAOYSA-N
XLogP2.66
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 105380111
2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid
CID 116800857
2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62783634
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609
2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
CID 62702093
2-methyl-4-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 162677620
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid (CID 116804006) is 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Oc2cnn(C(C)C)c2)n1.
What is the InChIKey of 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The InChIKey is WETGUIRWCFABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)16-7-10(6-14-16)19-12-11(13(17)18)5-4-9(3)15-12/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 116804006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).