6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid

C12H17NO3 — CID 66231549

IUPAC6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
SMILESCC(C)(C)CCOc1cccc(C(=O)O)n1
InChIInChI=1S/C12H17NO3/c1-12(2,3)7-8-16-10-6-4-5-9(13-10)11(14)15/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKeyRQHBANBJQGIKNM-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.59
Rot. Bonds4

About 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid

6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid (PubChem CID 66231549) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
PubChem CID66231549
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
SMILESCC(C)(C)CCOc1cccc(C(=O)O)n1
InChIInChI=1S/C12H17NO3/c1-12(2,3)7-8-16-10-6-4-5-9(13-10)11(14)15/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKeyRQHBANBJQGIKNM-UHFFFAOYSA-N
XLogP2.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
CID 66232264
[6-(3,3-dimethylbutoxy)-2-pyridinyl]oxyboronic acid
CID 178066328
6-(2-phenylethoxy)pyridine-2-carboxylic acid
CID 115001122
6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823
2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
CID 66232512
6-(3,3-dimethylbutoxy)-N-ethylpyridin-2-amine
CID 80878218
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
4-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66234944
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
6-(piperidin-4-ylmethoxy)pyridine-2-carboxylic acid
CID 51063759
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240234
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid (CID 66231549) is 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid is CC(C)(C)CCOc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid?
The InChIKey is RQHBANBJQGIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)7-8-16-10-6-4-5-9(13-10)11(14)15/h4-6H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid?
6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 66231549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).