2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid

C11H15NO3 — CID 91151516

IUPAC2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
SMILESCC(C)(C)COc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H15NO3/c1-11(2,3)7-15-9-6-8(10(13)14)4-5-12-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyIIKKSVOFDCJGAX-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.20
Rot. Bonds3

About 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid

2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid (PubChem CID 91151516) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
PubChem CID91151516
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
SMILESCC(C)(C)COc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H15NO3/c1-11(2,3)7-15-9-6-8(10(13)14)4-5-12-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyIIKKSVOFDCJGAX-UHFFFAOYSA-N
XLogP2.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
CID 28996595
methyl 2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carboxylate
CID 114074900
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
2-phenoxypyridine-4-carboxylic acid
CID 21494431
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120519827
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine-4-carboxylic acid
CID 58477311
methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate
CID 114074883

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid (CID 91151516) is 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid is CC(C)(C)COc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid?
The InChIKey is IIKKSVOFDCJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)7-15-9-6-8(10(13)14)4-5-12-9/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid?
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 91151516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).