2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid

C7H8Br2N2O2 — CID 90776140

IUPAC2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid
SMILESCN1C(C(=O)O)=C(Br)C=C(Br)C1N
InChIInChI=1S/C7H8Br2N2O2/c1-11-5(7(12)13)3(8)2-4(9)6(11)10/h2,6H,10H2,1H3,(H,12,13)
InChIKeyOZHZWHWLRDULCT-UHFFFAOYSA-N
MW311.96 g/mol
LogP1.19
Rot. Bonds1

About 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid

2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid (PubChem CID 90776140) has the molecular formula C7H8Br2N2O2 and a molecular weight of 311.96 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid
PubChem CID90776140
Molecular FormulaC7H8Br2N2O2
Molecular Weight311.96 g/mol
Exact Mass309.90
IUPAC Name2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid
SMILESCN1C(C(=O)O)=C(Br)C=C(Br)C1N
InChIInChI=1S/C7H8Br2N2O2/c1-11-5(7(12)13)3(8)2-4(9)6(11)10/h2,6H,10H2,1H3,(H,12,13)
InChIKeyOZHZWHWLRDULCT-UHFFFAOYSA-N
XLogP1.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid?
The IUPAC name of 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid (CID 90776140) is 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid?
The canonical SMILES for 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid is CN1C(C(=O)O)=C(Br)C=C(Br)C1N.
What is the InChIKey of 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid?
The InChIKey is OZHZWHWLRDULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O2/c1-11-5(7(12)13)3(8)2-4(9)6(11)10/h2,6H,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid?
2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid has a molecular weight of 311.96 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid is sourced from PubChem (CID 90776140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).