6-methoxypyridine-3-carboxylic acid

C7H7NO3 — CID 592499

IUPAC6-methoxypyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyNVDJVEQITUWZDT-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.79
Rot. Bonds2

About 6-methoxypyridine-3-carboxylic acid

6-methoxypyridine-3-carboxylic acid (PubChem CID 592499) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxypyridine-3-carboxylic acid
PubChem CID592499
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-methoxypyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyNVDJVEQITUWZDT-UHFFFAOYSA-N
XLogP0.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridine-3-carboxylic acid?
The IUPAC name of 6-methoxypyridine-3-carboxylic acid (CID 592499) is 6-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxypyridine-3-carboxylic acid is COc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-methoxypyridine-3-carboxylic acid?
The InChIKey is NVDJVEQITUWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10).
What are the key properties of 6-methoxypyridine-3-carboxylic acid?
6-methoxypyridine-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 592499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).