3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid

C13H19NO3 — CID 55181278

IUPAC3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESCC(C)CC(C)OCc1cccnc1C(=O)O
InChIInChI=1S/C13H19NO3/c1-9(2)7-10(3)17-8-11-5-4-6-14-12(11)13(15)16/h4-6,9-10H,7-8H2,1-3H3,(H,15,16)
InChIKeyGRQCFIFSBBGYSH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.73
Rot. Bonds6

About 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid

3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 55181278) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID55181278
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESCC(C)CC(C)OCc1cccnc1C(=O)O
InChIInChI=1S/C13H19NO3/c1-9(2)7-10(3)17-8-11-5-4-6-14-12(11)13(15)16/h4-6,9-10H,7-8H2,1-3H3,(H,15,16)
InChIKeyGRQCFIFSBBGYSH-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpentoxymethyl)pyridine-2-carboxylic acid
CID 55179936
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
2-fluoro-3-(4-methylpentan-2-yloxymethyl)benzoic acid
CID 107119679
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
CID 63073065
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
CID 153267401
3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 63073121
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid (CID 55181278) is 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid is CC(C)CC(C)OCc1cccnc1C(=O)O.
What is the InChIKey of 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is GRQCFIFSBBGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)7-10(3)17-8-11-5-4-6-14-12(11)13(15)16/h4-6,9-10H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid?
3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 55181278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).