5-amino-3-methylpyridine-2-carboxylic acid

C7H8N2O2 — CID 55253074

IUPAC5-amino-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(N)cnc1C(=O)O
InChIInChI=1S/C7H8N2O2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,8H2,1H3,(H,10,11)
InChIKeyOXHFWJQCRORCBM-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.67
Rot. Bonds1

About 5-amino-3-methylpyridine-2-carboxylic acid

5-amino-3-methylpyridine-2-carboxylic acid (PubChem CID 55253074) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-amino-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-methylpyridine-2-carboxylic acid
PubChem CID55253074
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-amino-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(N)cnc1C(=O)O
InChIInChI=1S/C7H8N2O2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,8H2,1H3,(H,10,11)
InChIKeyOXHFWJQCRORCBM-UHFFFAOYSA-N
XLogP0.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-methylpyridine-2-carboxylic acid (CID 55253074) is 5-amino-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-methylpyridine-2-carboxylic acid is Cc1cc(N)cnc1C(=O)O.
What is the InChIKey of 5-amino-3-methylpyridine-2-carboxylic acid?
The InChIKey is OXHFWJQCRORCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,8H2,1H3,(H,10,11).
What are the key properties of 5-amino-3-methylpyridine-2-carboxylic acid?
5-amino-3-methylpyridine-2-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 55253074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).