6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid

C12H17NO3 — CID 79158533

IUPAC6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
SMILESCCC(C)COc1ccc(C)nc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-4-8(2)7-16-10-6-5-9(3)13-11(10)12(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyALOUIRBRDPFCSN-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.51
Rot. Bonds5

About 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid

6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid (PubChem CID 79158533) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
PubChem CID79158533
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
SMILESCCC(C)COc1ccc(C)nc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-4-8(2)7-16-10-6-5-9(3)13-11(10)12(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyALOUIRBRDPFCSN-UHFFFAOYSA-N
XLogP2.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79158684
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-(1-cyanopropoxy)-6-methylpyridine-2-carboxylic acid
CID 79156849
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 83040947
6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid
CID 79157623
3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79158007

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid (CID 79158533) is 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid is CCC(C)COc1ccc(C)nc1C(=O)O.
What is the InChIKey of 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid?
The InChIKey is ALOUIRBRDPFCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-8(2)7-16-10-6-5-9(3)13-11(10)12(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid?
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 79158533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).