6-[ethyl(methyl)amino]pyridine-2-carboxylic acid

C9H12N2O2 — CID 62255724

IUPAC6-[ethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C9H12N2O2/c1-3-11(2)8-6-4-5-7(10-8)9(12)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyIJWJKRTYWMDISW-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.24
Rot. Bonds3

About 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid

6-[ethyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 62255724) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID62255724
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-[ethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C9H12N2O2/c1-3-11(2)8-6-4-5-7(10-8)9(12)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyIJWJKRTYWMDISW-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid (CID 62255724) is 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid is CCN(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IJWJKRTYWMDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-11(2)8-6-4-5-7(10-8)9(12)13/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid?
6-[ethyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62255724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).