2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine

C7H5BrFIN2O2 — CID 118895813

IUPAC2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine
SMILESO=[N+]([O-])CC(I)c1ccnc(Br)c1F
InChIInChI=1S/C7H5BrFIN2O2/c8-7-6(9)4(1-2-11-7)5(10)3-12(13)14/h1-2,5H,3H2
InChIKeyCZCXYLZQZPVIEX-UHFFFAOYSA-N
MW374.94 g/mol
LogP2.74
Rot. Bonds3

About 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine

2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine (PubChem CID 118895813) has the molecular formula C7H5BrFIN2O2 and a molecular weight of 374.94 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine
PubChem CID118895813
Molecular FormulaC7H5BrFIN2O2
Molecular Weight374.94 g/mol
Exact Mass373.86
IUPAC Name2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine
SMILESO=[N+]([O-])CC(I)c1ccnc(Br)c1F
InChIInChI=1S/C7H5BrFIN2O2/c8-7-6(9)4(1-2-11-7)5(10)3-12(13)14/h1-2,5H,3H2
InChIKeyCZCXYLZQZPVIEX-UHFFFAOYSA-N
XLogP2.74
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine?
The IUPAC name of 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine (CID 118895813) is 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine.
What is the SMILES notation for 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine?
The canonical SMILES for 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine is O=[N+]([O-])CC(I)c1ccnc(Br)c1F.
What is the InChIKey of 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine?
The InChIKey is CZCXYLZQZPVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFIN2O2/c8-7-6(9)4(1-2-11-7)5(10)3-12(13)14/h1-2,5H,3H2.
What are the key properties of 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine?
2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine has a molecular weight of 374.94 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(1-iodo-2-nitroethyl)pyridine is sourced from PubChem (CID 118895813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).