2-methyl-2H-pyridine-1,6-dicarboxylic acid

C8H9NO4 — CID 67315454

IUPAC2-methyl-2H-pyridine-1,6-dicarboxylic acid
SMILESCC1C=CC=C(C(=O)O)N1C(=O)O
InChIInChI=1S/C8H9NO4/c1-5-3-2-4-6(7(10)11)9(5)8(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyTYGHAZBPMJSECP-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.89
Rot. Bonds1

About 2-methyl-2H-pyridine-1,6-dicarboxylic acid

2-methyl-2H-pyridine-1,6-dicarboxylic acid (PubChem CID 67315454) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-methyl-2H-pyridine-1,6-dicarboxylic acid.

Molecular Properties

Compound Name2-methyl-2H-pyridine-1,6-dicarboxylic acid
PubChem CID67315454
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-methyl-2H-pyridine-1,6-dicarboxylic acid
SMILESCC1C=CC=C(C(=O)O)N1C(=O)O
InChIInChI=1S/C8H9NO4/c1-5-3-2-4-6(7(10)11)9(5)8(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyTYGHAZBPMJSECP-UHFFFAOYSA-N
XLogP0.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-pyridine-1,6-dicarboxylic acid?
The IUPAC name of 2-methyl-2H-pyridine-1,6-dicarboxylic acid (CID 67315454) is 2-methyl-2H-pyridine-1,6-dicarboxylic acid.
What is the SMILES notation for 2-methyl-2H-pyridine-1,6-dicarboxylic acid?
The canonical SMILES for 2-methyl-2H-pyridine-1,6-dicarboxylic acid is CC1C=CC=C(C(=O)O)N1C(=O)O.
What is the InChIKey of 2-methyl-2H-pyridine-1,6-dicarboxylic acid?
The InChIKey is TYGHAZBPMJSECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5-3-2-4-6(7(10)11)9(5)8(12)13/h2-5H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-2H-pyridine-1,6-dicarboxylic acid?
2-methyl-2H-pyridine-1,6-dicarboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-pyridine-1,6-dicarboxylic acid is sourced from PubChem (CID 67315454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).