2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine

C7H5BrF2N2O3 — CID 119020021

IUPAC2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
SMILESCOc1cc([N+](=O)[O-])c(C(F)F)nc1Br
InChIInChI=1S/C7H5BrF2N2O3/c1-15-4-2-3(12(13)14)5(7(9)10)11-6(4)8/h2,7H,1H3
InChIKeyZQKMJJYTCIPUSP-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.70
Rot. Bonds3

About 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine

2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine (PubChem CID 119020021) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
PubChem CID119020021
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
SMILESCOc1cc([N+](=O)[O-])c(C(F)F)nc1Br
InChIInChI=1S/C7H5BrF2N2O3/c1-15-4-2-3(12(13)14)5(7(9)10)11-6(4)8/h2,7H,1H3
InChIKeyZQKMJJYTCIPUSP-UHFFFAOYSA-N
XLogP2.70
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
2-bromo-3,6-dimethoxy-5-nitropyridine
CID 172541269
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
6-(difluoromethyl)-5-methoxy-3-nitropyridine-2-sulfonyl chloride
CID 118843482
ethyl 2-bromo-6-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134670850
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine?
The IUPAC name of 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine (CID 119020021) is 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine is COc1cc([N+](=O)[O-])c(C(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine?
The InChIKey is ZQKMJJYTCIPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c1-15-4-2-3(12(13)14)5(7(9)10)11-6(4)8/h2,7H,1H3.
What are the key properties of 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine?
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine has a molecular weight of 283.03 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine is sourced from PubChem (CID 119020021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).