2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid

C10H13NO3 — CID 28996595

IUPAC2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
SMILESCC(C)(C)Oc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H13NO3/c1-10(2,3)14-8-6-7(9(12)13)4-5-11-8/h4-6H,1-3H3,(H,12,13)
InChIKeyUHYLPLBJEKZQHO-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.96
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid

2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid (PubChem CID 28996595) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
PubChem CID28996595
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
SMILESCC(C)(C)Oc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H13NO3/c1-10(2,3)14-8-6-7(9(12)13)4-5-11-8/h4-6H,1-3H3,(H,12,13)
InChIKeyUHYLPLBJEKZQHO-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
2-phenoxypyridine-4-carboxylic acid
CID 21494431
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 131617153
2-(trideuteriomethyl)pyridine-4-carboxylic acid
CID 175823393
2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid
CID 130631934
2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 43095091
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid (CID 28996595) is 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid is CC(C)(C)Oc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid?
The InChIKey is UHYLPLBJEKZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,3)14-8-6-7(9(12)13)4-5-11-8/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid?
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 28996595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).