2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid

C14H21NO3 — CID 113379620

IUPAC2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCCC(C)(C)Oc1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C14H21NO3/c1-6-14(4,5)18-12-8-10(13(16)17)7-11(15-12)9(2)3/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyYRVBNAITNKZPPD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid

2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 113379620) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID113379620
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCCC(C)(C)Oc1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C14H21NO3/c1-6-14(4,5)18-12-8-10(13(16)17)7-11(15-12)9(2)3/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyYRVBNAITNKZPPD-UHFFFAOYSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 28996663
2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380189
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
3-amino-4-(2-methylbutan-2-yloxy)benzoic acid
CID 60987854
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid (CID 113379620) is 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid is CCC(C)(C)Oc1cc(C(=O)O)cc(C(C)C)n1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is YRVBNAITNKZPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-14(4,5)18-12-8-10(13(16)17)7-11(15-12)9(2)3/h7-9H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid?
2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 113379620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).