5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine

C7H4BrF3N2O2 — CID 130081415

IUPAC5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1nc(F)c(C(F)F)cc1CBr
InChIInChI=1S/C7H4BrF3N2O2/c8-2-3-1-4(5(9)10)6(11)12-7(3)13(14)15/h1,5H,2H2
InChIKeyGVWREODSNZBWBA-UHFFFAOYSA-N
MW285.02 g/mol
LogP2.96
Rot. Bonds3

About 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine

5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine (PubChem CID 130081415) has the molecular formula C7H4BrF3N2O2 and a molecular weight of 285.02 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
PubChem CID130081415
Molecular FormulaC7H4BrF3N2O2
Molecular Weight285.02 g/mol
Exact Mass283.94
IUPAC Name5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1nc(F)c(C(F)F)cc1CBr
InChIInChI=1S/C7H4BrF3N2O2/c8-2-3-1-4(5(9)10)6(11)12-7(3)13(14)15/h1,5H,2H2
InChIKeyGVWREODSNZBWBA-UHFFFAOYSA-N
XLogP2.96
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 52.96
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine
CID 118824237
5-(chloromethyl)-3-(difluoromethyl)-2-methyl-6-nitropyridine
CID 130088240
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
CID 130109497
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine?
The IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine (CID 130081415) is 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine.
What is the SMILES notation for 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine?
The canonical SMILES for 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine is O=[N+]([O-])c1nc(F)c(C(F)F)cc1CBr.
What is the InChIKey of 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine?
The InChIKey is GVWREODSNZBWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O2/c8-2-3-1-4(5(9)10)6(11)12-7(3)13(14)15/h1,5H,2H2.
What are the key properties of 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine?
5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine has a molecular weight of 285.02 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine is sourced from PubChem (CID 130081415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).