5-methoxypyridine-3-carboxylic acid

C7H7NO3 — CID 4738390

IUPAC5-methoxypyridine-3-carboxylic acid
SMILESCOc1cncc(C(=O)O)c1
InChIInChI=1S/C7H7NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10)
InChIKeyVDZUWTLBWRZRTR-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.79
Rot. Bonds2

About 5-methoxypyridine-3-carboxylic acid

5-methoxypyridine-3-carboxylic acid (PubChem CID 4738390) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxypyridine-3-carboxylic acid
PubChem CID4738390
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5-methoxypyridine-3-carboxylic acid
SMILESCOc1cncc(C(=O)O)c1
InChIInChI=1S/C7H7NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10)
InChIKeyVDZUWTLBWRZRTR-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 5-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-methoxypyridine-3-carboxylic acid (CID 4738390) is 5-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxypyridine-3-carboxylic acid is COc1cncc(C(=O)O)c1.
What is the InChIKey of 5-methoxypyridine-3-carboxylic acid?
The InChIKey is VDZUWTLBWRZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10).
What are the key properties of 5-methoxypyridine-3-carboxylic acid?
5-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 5-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 4738390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).