2-methoxy-1,2-dihydropyridine-4-carboxylic acid

C7H9NO3 — CID 164602746

IUPAC2-methoxy-1,2-dihydropyridine-4-carboxylic acid
SMILESCOC1C=C(C(=O)O)C=CN1
InChIInChI=1S/C7H9NO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4,6,8H,1H3,(H,9,10)
InChIKeyWKCXHBYPWDQFMR-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.09
Rot. Bonds2

About 2-methoxy-1,2-dihydropyridine-4-carboxylic acid

2-methoxy-1,2-dihydropyridine-4-carboxylic acid (PubChem CID 164602746) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-methoxy-1,2-dihydropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-1,2-dihydropyridine-4-carboxylic acid
PubChem CID164602746
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-methoxy-1,2-dihydropyridine-4-carboxylic acid
SMILESCOC1C=C(C(=O)O)C=CN1
InChIInChI=1S/C7H9NO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4,6,8H,1H3,(H,9,10)
InChIKeyWKCXHBYPWDQFMR-UHFFFAOYSA-N
XLogP0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2-dihydropyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-1,2-dihydropyridine-4-carboxylic acid (CID 164602746) is 2-methoxy-1,2-dihydropyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-1,2-dihydropyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-1,2-dihydropyridine-4-carboxylic acid is COC1C=C(C(=O)O)C=CN1.
What is the InChIKey of 2-methoxy-1,2-dihydropyridine-4-carboxylic acid?
The InChIKey is WKCXHBYPWDQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4,6,8H,1H3,(H,9,10).
What are the key properties of 2-methoxy-1,2-dihydropyridine-4-carboxylic acid?
2-methoxy-1,2-dihydropyridine-4-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,2-dihydropyridine-4-carboxylic acid is sourced from PubChem (CID 164602746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).