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

C7H4BrF2IN2O2 — CID 130086553

IUPAC3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(CBr)c1I
InChIInChI=1S/C7H4BrF2IN2O2/c8-1-3-5(11)4(13(14)15)2-12-6(3)7(9)10/h2,7H,1H2
InChIKeyIQFBMXBMKSYAMR-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.43
Rot. Bonds3

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

3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine (PubChem CID 130086553) has the molecular formula C7H4BrF2IN2O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
PubChem CID130086553
Molecular FormulaC7H4BrF2IN2O2
Molecular Weight392.93 g/mol
Exact Mass391.85
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(CBr)c1I
InChIInChI=1S/C7H4BrF2IN2O2/c8-1-3-5(11)4(13(14)15)2-12-6(3)7(9)10/h2,7H,1H2
InChIKeyIQFBMXBMKSYAMR-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

3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
ethyl 2-[2-(difluoromethyl)-4-iodo-5-nitro-3-pyridinyl]acetate
CID 133101046
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
2-(difluoromethyl)-3-iodo-5-nitropyridine-4-carboxamide
CID 118820528
4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
3-(bromomethyl)-4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 130078592
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
2-[2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118809433
5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine (CID 130086553) is 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine is O=[N+]([O-])c1cnc(C(F)F)c(CBr)c1I.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine?
The InChIKey is IQFBMXBMKSYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2IN2O2/c8-1-3-5(11)4(13(14)15)2-12-6(3)7(9)10/h2,7H,1H2.
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine?
3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-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 3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine is sourced from PubChem (CID 130086553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).