3-amino-5,6-dimethylpyridine-2-carboxylic acid

C8H10N2O2 — CID 155977867

IUPAC3-amino-5,6-dimethylpyridine-2-carboxylic acid
SMILESCc1cc(N)c(C(=O)O)nc1C
InChIInChI=1S/C8H10N2O2/c1-4-3-6(9)7(8(11)12)10-5(4)2/h3H,9H2,1-2H3,(H,11,12)
InChIKeySBWWXFDKSPIBBZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.98
Rot. Bonds1

About 3-amino-5,6-dimethylpyridine-2-carboxylic acid

3-amino-5,6-dimethylpyridine-2-carboxylic acid (PubChem CID 155977867) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-5,6-dimethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5,6-dimethylpyridine-2-carboxylic acid
PubChem CID155977867
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-amino-5,6-dimethylpyridine-2-carboxylic acid
SMILESCc1cc(N)c(C(=O)O)nc1C
InChIInChI=1S/C8H10N2O2/c1-4-3-6(9)7(8(11)12)10-5(4)2/h3H,9H2,1-2H3,(H,11,12)
InChIKeySBWWXFDKSPIBBZ-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dimethylpyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5,6-dimethylpyridine-2-carboxylic acid (CID 155977867) is 3-amino-5,6-dimethylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5,6-dimethylpyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5,6-dimethylpyridine-2-carboxylic acid is Cc1cc(N)c(C(=O)O)nc1C.
What is the InChIKey of 3-amino-5,6-dimethylpyridine-2-carboxylic acid?
The InChIKey is SBWWXFDKSPIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-3-6(9)7(8(11)12)10-5(4)2/h3H,9H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-5,6-dimethylpyridine-2-carboxylic acid?
3-amino-5,6-dimethylpyridine-2-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 3-amino-5,6-dimethylpyridine-2-carboxylic acid is sourced from PubChem (CID 155977867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).