5-methoxy-6-methylpyridine-3-carboxylic acid

C8H9NO3 — CID 76852752

IUPAC5-methoxy-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)cnc1C
InChIInChI=1S/C8H9NO3/c1-5-7(12-2)3-6(4-9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyBVUMVUIXTLQBIE-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds2

About 5-methoxy-6-methylpyridine-3-carboxylic acid

5-methoxy-6-methylpyridine-3-carboxylic acid (PubChem CID 76852752) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-methoxy-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-6-methylpyridine-3-carboxylic acid
PubChem CID76852752
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5-methoxy-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)cnc1C
InChIInChI=1S/C8H9NO3/c1-5-7(12-2)3-6(4-9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyBVUMVUIXTLQBIE-UHFFFAOYSA-N
XLogP1.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-methoxy-6-methylpyridine-3-carboxylic acid (CID 76852752) is 5-methoxy-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxy-6-methylpyridine-3-carboxylic acid is COc1cc(C(=O)O)cnc1C.
What is the InChIKey of 5-methoxy-6-methylpyridine-3-carboxylic acid?
The InChIKey is BVUMVUIXTLQBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-7(12-2)3-6(4-9-5)8(10)11/h3-4H,1-2H3,(H,10,11).
What are the key properties of 5-methoxy-6-methylpyridine-3-carboxylic acid?
5-methoxy-6-methylpyridine-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 76852752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).