4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine

C8H7BrF2N2O2 — CID 118824237

IUPAC4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine
SMILESCc1cc(CBr)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H7BrF2N2O2/c1-4-2-5(3-9)6(7(10)11)8(12-4)13(14)15/h2,7H,3H2,1H3
InChIKeyHLGVSWWFYGGEGH-UHFFFAOYSA-N
MW281.06 g/mol
LogP3.13
Rot. Bonds3

About 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine

4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine (PubChem CID 118824237) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine
PubChem CID118824237
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine
SMILESCc1cc(CBr)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H7BrF2N2O2/c1-4-2-5(3-9)6(7(10)11)8(12-4)13(14)15/h2,7H,3H2,1H3
InChIKeyHLGVSWWFYGGEGH-UHFFFAOYSA-N
XLogP3.13
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
CID 133098937
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
CID 130081415
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine (CID 118824237) is 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine is Cc1cc(CBr)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine?
The InChIKey is HLGVSWWFYGGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c1-4-2-5(3-9)6(7(10)11)8(12-4)13(14)15/h2,7H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine?
4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine has a molecular weight of 281.06 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine is sourced from PubChem (CID 118824237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).