3-methoxypyridine-2-carboxylic acid

C7H7NO3 — CID 13209540

IUPAC3-methoxypyridine-2-carboxylic acid
SMILESCOc1cccnc1C(=O)O
InChIInChI=1S/C7H7NO3/c1-11-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyRJXVAGCQRMBMCI-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.79
Rot. Bonds2

About 3-methoxypyridine-2-carboxylic acid

3-methoxypyridine-2-carboxylic acid (PubChem CID 13209540) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxypyridine-2-carboxylic acid
PubChem CID13209540
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-methoxypyridine-2-carboxylic acid
SMILESCOc1cccnc1C(=O)O
InChIInChI=1S/C7H7NO3/c1-11-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyRJXVAGCQRMBMCI-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 3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 3-methoxypyridine-2-carboxylic acid (CID 13209540) is 3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxypyridine-2-carboxylic acid is COc1cccnc1C(=O)O.
What is the InChIKey of 3-methoxypyridine-2-carboxylic acid?
The InChIKey is RJXVAGCQRMBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10).
What are the key properties of 3-methoxypyridine-2-carboxylic acid?
3-methoxypyridine-2-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 3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 13209540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).