2-amino-4,6-dimethylpyridine-3-carboxylic acid

C8H10N2O2 — CID 738127

IUPAC2-amino-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N)n1
InChIInChI=1S/C8H10N2O2/c1-4-3-5(2)10-7(9)6(4)8(11)12/h3H,1-2H3,(H2,9,10)(H,11,12)
InChIKeyXITZJLJVSFQXLV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.98
Rot. Bonds1

About 2-amino-4,6-dimethylpyridine-3-carboxylic acid

2-amino-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 738127) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-amino-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID738127
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-amino-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N)n1
InChIInChI=1S/C8H10N2O2/c1-4-3-5(2)10-7(9)6(4)8(11)12/h3H,1-2H3,(H2,9,10)(H,11,12)
InChIKeyXITZJLJVSFQXLV-UHFFFAOYSA-N
XLogP0.98
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4,6-dimethylpyridine-3-carboxylic acid
CID 591127
6-Amino-4-methylnicotinic acid
CID 9964149
2-Aminoquinoline-3-carboxylic acid
CID 283476
2-Amino-6-methylpyridine-3-carboxylic acid
CID 2734432
6-Amino-2-ethylpyridine-3-carboxylic acid
CID 22019116
6-Amino-2-methylnicotinic acid
CID 28875529
6-Amino-4-ethylnicotinic acid
CID 68419998
4,6-Dimethylnicotinic acid
CID 817290
2,6-Dimethylnicotinic acid
CID 11715203
6-Methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 14929599
6-Amino-2-butylpyridine-3-carboxylic acid
CID 118710364
6-Amino-2-phenylpyridine-3-carboxylic acid
CID 118710365

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4,6-dimethylpyridine-3-carboxylic acid (CID 738127) is 2-amino-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N)n1.
What is the InChIKey of 2-amino-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XITZJLJVSFQXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-3-5(2)10-7(9)6(4)8(11)12/h3H,1-2H3,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-4,6-dimethylpyridine-3-carboxylic acid?
2-amino-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 738127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).