2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine

C6H7BrN2O3 — CID 144511648

IUPAC2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine
SMILESCC1=CC([N+](=O)[O-])=CC(Br)N1O
InChIInChI=1S/C6H7BrN2O3/c1-4-2-5(9(11)12)3-6(7)8(4)10/h2-3,6,10H,1H3
InChIKeyMACMOINQSYZBPS-UHFFFAOYSA-N
MW235.04 g/mol
LogP1.48
Rot. Bonds1

About 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine

2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine (PubChem CID 144511648) has the molecular formula C6H7BrN2O3 and a molecular weight of 235.04 g/mol. Its IUPAC name is 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine
PubChem CID144511648
Molecular FormulaC6H7BrN2O3
Molecular Weight235.04 g/mol
Exact Mass233.96
IUPAC Name2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine
SMILESCC1=CC([N+](=O)[O-])=CC(Br)N1O
InChIInChI=1S/C6H7BrN2O3/c1-4-2-5(9(11)12)3-6(7)8(4)10/h2-3,6,10H,1H3
InChIKeyMACMOINQSYZBPS-UHFFFAOYSA-N
XLogP1.48
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine?
The IUPAC name of 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine (CID 144511648) is 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine.
What is the SMILES notation for 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine?
The canonical SMILES for 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine is CC1=CC([N+](=O)[O-])=CC(Br)N1O.
What is the InChIKey of 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine?
The InChIKey is MACMOINQSYZBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3/c1-4-2-5(9(11)12)3-6(7)8(4)10/h2-3,6,10H,1H3.
What are the key properties of 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine?
2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine has a molecular weight of 235.04 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine is sourced from PubChem (CID 144511648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).