N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide

C6H5Br2N3O2 — CID 86038256

IUPACN-(2,6-dibromo-4-pyridinyl)-N-methylnitramide
SMILESCN(c1cc(Br)nc(Br)c1)[N+](=O)[O-]
InChIInChI=1S/C6H5Br2N3O2/c1-10(11(12)13)4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeySEEQKWYCVVAWHK-UHFFFAOYSA-N
MW310.93 g/mol
LogP2.23
Rot. Bonds2

About N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide

N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide (PubChem CID 86038256) has the molecular formula C6H5Br2N3O2 and a molecular weight of 310.93 g/mol. Its IUPAC name is N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-pyridinyl)-N-methylnitramide
PubChem CID86038256
Molecular FormulaC6H5Br2N3O2
Molecular Weight310.93 g/mol
Exact Mass308.87
IUPAC NameN-(2,6-dibromo-4-pyridinyl)-N-methylnitramide
SMILESCN(c1cc(Br)nc(Br)c1)[N+](=O)[O-]
InChIInChI=1S/C6H5Br2N3O2/c1-10(11(12)13)4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeySEEQKWYCVVAWHK-UHFFFAOYSA-N
XLogP2.23
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide?
The IUPAC name of N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide (CID 86038256) is N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide.
What is the SMILES notation for N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide?
The canonical SMILES for N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide is CN(c1cc(Br)nc(Br)c1)[N+](=O)[O-].
What is the InChIKey of N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide?
The InChIKey is SEEQKWYCVVAWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N3O2/c1-10(11(12)13)4-2-5(7)9-6(8)3-4/h2-3H,1H3.
What are the key properties of N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide?
N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide has a molecular weight of 310.93 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-pyridinyl)-N-methylnitramide is sourced from PubChem (CID 86038256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).