4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid

C9H12N2O2 — CID 60678573

IUPAC4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-4-6(2)11-8(10-3)7(5)9(12)13/h4H,1-3H3,(H,10,11)(H,12,13)
InChIKeyQZLJNJXOAHDJFN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.44
Rot. Bonds2

About 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid

4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid (PubChem CID 60678573) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid
PubChem CID60678573
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-4-6(2)11-8(10-3)7(5)9(12)13/h4H,1-3H3,(H,10,11)(H,12,13)
InChIKeyQZLJNJXOAHDJFN-UHFFFAOYSA-N
XLogP1.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid (CID 60678573) is 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid is CNc1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is QZLJNJXOAHDJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-4-6(2)11-8(10-3)7(5)9(12)13/h4H,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 60678573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).