6-fluoro-4-iodo-3-methyl-2-nitropyridine

C6H4FIN2O2 — CID 167701348

IUPAC6-fluoro-4-iodo-3-methyl-2-nitropyridine
SMILESCc1c(I)cc(F)nc1[N+](=O)[O-]
InChIInChI=1S/C6H4FIN2O2/c1-3-4(8)2-5(7)9-6(3)10(11)12/h2H,1H3
InChIKeyVJZRIVJQEZZTJC-UHFFFAOYSA-N
MW282.01 g/mol
LogP2.04
Rot. Bonds1

About 6-fluoro-4-iodo-3-methyl-2-nitropyridine

6-fluoro-4-iodo-3-methyl-2-nitropyridine (PubChem CID 167701348) has the molecular formula C6H4FIN2O2 and a molecular weight of 282.01 g/mol. Its IUPAC name is 6-fluoro-4-iodo-3-methyl-2-nitropyridine.

Molecular Properties

Compound Name6-fluoro-4-iodo-3-methyl-2-nitropyridine
PubChem CID167701348
Molecular FormulaC6H4FIN2O2
Molecular Weight282.01 g/mol
Exact Mass281.93
IUPAC Name6-fluoro-4-iodo-3-methyl-2-nitropyridine
SMILESCc1c(I)cc(F)nc1[N+](=O)[O-]
InChIInChI=1S/C6H4FIN2O2/c1-3-4(8)2-5(7)9-6(3)10(11)12/h2H,1H3
InChIKeyVJZRIVJQEZZTJC-UHFFFAOYSA-N
XLogP2.04
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'}

Analyze 6-fluoro-4-iodo-3-methyl-2-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-iodo-3-methyl-2-nitropyridine?
The IUPAC name of 6-fluoro-4-iodo-3-methyl-2-nitropyridine (CID 167701348) is 6-fluoro-4-iodo-3-methyl-2-nitropyridine.
What is the SMILES notation for 6-fluoro-4-iodo-3-methyl-2-nitropyridine?
The canonical SMILES for 6-fluoro-4-iodo-3-methyl-2-nitropyridine is Cc1c(I)cc(F)nc1[N+](=O)[O-].
What is the InChIKey of 6-fluoro-4-iodo-3-methyl-2-nitropyridine?
The InChIKey is VJZRIVJQEZZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FIN2O2/c1-3-4(8)2-5(7)9-6(3)10(11)12/h2H,1H3.
What are the key properties of 6-fluoro-4-iodo-3-methyl-2-nitropyridine?
6-fluoro-4-iodo-3-methyl-2-nitropyridine has a molecular weight of 282.01 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-iodo-3-methyl-2-nitropyridine is sourced from PubChem (CID 167701348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).