1-methyl-2H-pyridine-6-carboxylic acid

C7H9NO2 — CID 19958330

IUPAC1-methyl-2H-pyridine-6-carboxylic acid
SMILESCN1CC=CC=C1C(=O)O
InChIInChI=1S/C7H9NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeyDESCXTNYDRKSAL-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.46
Rot. Bonds1

About 1-methyl-2H-pyridine-6-carboxylic acid

1-methyl-2H-pyridine-6-carboxylic acid (PubChem CID 19958330) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-methyl-2H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2H-pyridine-6-carboxylic acid
PubChem CID19958330
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-methyl-2H-pyridine-6-carboxylic acid
SMILESCN1CC=CC=C1C(=O)O
InChIInChI=1S/C7H9NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeyDESCXTNYDRKSAL-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-6-carboxylic acid?
The IUPAC name of 1-methyl-2H-pyridine-6-carboxylic acid (CID 19958330) is 1-methyl-2H-pyridine-6-carboxylic acid.
What is the SMILES notation for 1-methyl-2H-pyridine-6-carboxylic acid?
The canonical SMILES for 1-methyl-2H-pyridine-6-carboxylic acid is CN1CC=CC=C1C(=O)O.
What is the InChIKey of 1-methyl-2H-pyridine-6-carboxylic acid?
The InChIKey is DESCXTNYDRKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-4H,5H2,1H3,(H,9,10).
What are the key properties of 1-methyl-2H-pyridine-6-carboxylic acid?
1-methyl-2H-pyridine-6-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-6-carboxylic acid is sourced from PubChem (CID 19958330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).