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

C7H5BrF2N2O2 — CID 130069111

IUPAC6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
SMILESCc1c([N+](=O)[O-])cc(Br)nc1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c1-3-4(12(13)14)2-5(8)11-6(3)7(9)10/h2,7H,1H3
InChIKeyHYZHKMLBMJGQDV-UHFFFAOYSA-N
MW267.03 g/mol
LogP3.00
Rot. Bonds2

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

6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine (PubChem CID 130069111) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
PubChem CID130069111
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
SMILESCc1c([N+](=O)[O-])cc(Br)nc1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c1-3-4(12(13)14)2-5(8)11-6(3)7(9)10/h2,7H,1H3
InChIKeyHYZHKMLBMJGQDV-UHFFFAOYSA-N
XLogP3.00
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
CID 118803582
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
ethyl 6-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134675368

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine?
The IUPAC name of 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine (CID 130069111) is 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine is Cc1c([N+](=O)[O-])cc(Br)nc1C(F)F.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine?
The InChIKey is HYZHKMLBMJGQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c1-3-4(12(13)14)2-5(8)11-6(3)7(9)10/h2,7H,1H3.
What are the key properties of 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine?
6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine has a molecular weight of 267.03 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine is sourced from PubChem (CID 130069111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).