1-methyl-2H-pyridine-4-carboxylic acid

C7H9NO2 — CID 18521154

IUPAC1-methyl-2H-pyridine-4-carboxylic acid
SMILESCN1C=CC(C(=O)O)=CC1
InChIInChI=1S/C7H9NO2/c1-8-4-2-6(3-5-8)7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeyOLWYKBGVKOZKGM-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.46
Rot. Bonds1

About 1-methyl-2H-pyridine-4-carboxylic acid

1-methyl-2H-pyridine-4-carboxylic acid (PubChem CID 18521154) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-methyl-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2H-pyridine-4-carboxylic acid
PubChem CID18521154
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-methyl-2H-pyridine-4-carboxylic acid
SMILESCN1C=CC(C(=O)O)=CC1
InChIInChI=1S/C7H9NO2/c1-8-4-2-6(3-5-8)7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeyOLWYKBGVKOZKGM-UHFFFAOYSA-N
XLogP0.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-methyl-2H-pyridine-4-carboxylic acid (CID 18521154) is 1-methyl-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-methyl-2H-pyridine-4-carboxylic acid is CN1C=CC(C(=O)O)=CC1.
What is the InChIKey of 1-methyl-2H-pyridine-4-carboxylic acid?
The InChIKey is OLWYKBGVKOZKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-4-2-6(3-5-8)7(9)10/h2-4H,5H2,1H3,(H,9,10).
What are the key properties of 1-methyl-2H-pyridine-4-carboxylic acid?
1-methyl-2H-pyridine-4-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 18521154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).