6-methoxy-2,4-dimethylpyridine-3-carboxylic acid

C9H11NO3 — CID 3446565

IUPAC6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
SMILESCOc1cc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C9H11NO3/c1-5-4-7(13-3)10-6(2)8(5)9(11)12/h4H,1-3H3,(H,11,12)
InChIKeyNUUAFMUCSUUAQV-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.41
Rot. Bonds2

About 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid

6-methoxy-2,4-dimethylpyridine-3-carboxylic acid (PubChem CID 3446565) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
PubChem CID3446565
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
SMILESCOc1cc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C9H11NO3/c1-5-4-7(13-3)10-6(2)8(5)9(11)12/h4H,1-3H3,(H,11,12)
InChIKeyNUUAFMUCSUUAQV-UHFFFAOYSA-N
XLogP1.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid (CID 3446565) is 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid is COc1cc(C)c(C(=O)O)c(C)n1.
What is the InChIKey of 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid?
The InChIKey is NUUAFMUCSUUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-7(13-3)10-6(2)8(5)9(11)12/h4H,1-3H3,(H,11,12).
What are the key properties of 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid?
6-methoxy-2,4-dimethylpyridine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 3446565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).