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

C7H4Br2F2N2O2 — CID 119021688

IUPAC2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)cnc(Br)c1CBr
InChIInChI=1S/C7H4Br2F2N2O2/c8-1-3-5(13(14)15)4(7(10)11)2-12-6(3)9/h2,7H,1H2
InChIKeyYUMRLQGCDOICHD-UHFFFAOYSA-N
MW345.93 g/mol
LogP3.58
Rot. Bonds3

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

2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine (PubChem CID 119021688) has the molecular formula C7H4Br2F2N2O2 and a molecular weight of 345.93 g/mol. Its IUPAC name is 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
PubChem CID119021688
Molecular FormulaC7H4Br2F2N2O2
Molecular Weight345.93 g/mol
Exact Mass343.86
IUPAC Name2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)cnc(Br)c1CBr
InChIInChI=1S/C7H4Br2F2N2O2/c8-1-3-5(13(14)15)4(7(10)11)2-12-6(3)9/h2,7H,1H2
InChIKeyYUMRLQGCDOICHD-UHFFFAOYSA-N
XLogP3.58
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.93
LogP ≤ 53.58
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

2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
CID 130086547
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine?
The IUPAC name of 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine (CID 119021688) is 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine.
What is the SMILES notation for 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine?
The canonical SMILES for 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine is O=[N+]([O-])c1c(C(F)F)cnc(Br)c1CBr.
What is the InChIKey of 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine?
The InChIKey is YUMRLQGCDOICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2N2O2/c8-1-3-5(13(14)15)4(7(10)11)2-12-6(3)9/h2,7H,1H2.
What are the key properties of 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine?
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine has a molecular weight of 345.93 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine is sourced from PubChem (CID 119021688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).