6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid

C13H19NO4 — CID 112589611

IUPAC6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OCCOC(C)(C)C)c(C(=O)O)n1
InChIInChI=1S/C13H19NO4/c1-9-5-6-10(11(14-9)12(15)16)17-7-8-18-13(2,3)4/h5-6H,7-8H2,1-4H3,(H,15,16)
InChIKeyLZNLUTQAYNAEAL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.28
Rot. Bonds5

About 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid

6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid (PubChem CID 112589611) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
PubChem CID112589611
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OCCOC(C)(C)C)c(C(=O)O)n1
InChIInChI=1S/C13H19NO4/c1-9-5-6-10(11(14-9)12(15)16)17-7-8-18-13(2,3)4/h5-6H,7-8H2,1-4H3,(H,15,16)
InChIKeyLZNLUTQAYNAEAL-UHFFFAOYSA-N
XLogP2.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid
CID 79157623
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112590230
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid (CID 112589611) is 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid is Cc1ccc(OCCOC(C)(C)C)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid?
The InChIKey is LZNLUTQAYNAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-5-6-10(11(14-9)12(15)16)17-7-8-18-13(2,3)4/h5-6H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid?
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 112589611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).