2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine

C7H4BrF2IN2O2 — CID 130086547

IUPAC2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1c(CBr)ncc(C(F)F)c1I
InChIInChI=1S/C7H4BrF2IN2O2/c8-1-4-6(13(14)15)5(11)3(2-12-4)7(9)10/h2,7H,1H2
InChIKeyQUVMWGQPZMZNOW-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.43
Rot. Bonds3

About 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine

2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine (PubChem CID 130086547) has the molecular formula C7H4BrF2IN2O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
PubChem CID130086547
Molecular FormulaC7H4BrF2IN2O2
Molecular Weight392.93 g/mol
Exact Mass391.85
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1c(CBr)ncc(C(F)F)c1I
InChIInChI=1S/C7H4BrF2IN2O2/c8-1-4-6(13(14)15)5(11)3(2-12-4)7(9)10/h2,7H,1H2
InChIKeyQUVMWGQPZMZNOW-UHFFFAOYSA-N
XLogP3.43
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

methyl 2-[5-(difluoromethyl)-4-iodo-3-nitro-2-pyridinyl]acetate
CID 133101664
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 118827149
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
CID 130086553

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine (CID 130086547) is 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine is O=[N+]([O-])c1c(CBr)ncc(C(F)F)c1I.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine?
The InChIKey is QUVMWGQPZMZNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2IN2O2/c8-1-4-6(13(14)15)5(11)3(2-12-4)7(9)10/h2,7H,1H2.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine?
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine has a molecular weight of 392.93 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine is sourced from PubChem (CID 130086547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).