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

C7H5BrF2N2O3 — CID 130068676

IUPAC3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
SMILESCOc1nc([N+](=O)[O-])cc(C(F)F)c1Br
InChIInChI=1S/C7H5BrF2N2O3/c1-15-7-5(8)3(6(9)10)2-4(11-7)12(13)14/h2,6H,1H3
InChIKeyCXMYGZUALYXUNB-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.70
Rot. Bonds3

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

3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine (PubChem CID 130068676) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
PubChem CID130068676
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
SMILESCOc1nc([N+](=O)[O-])cc(C(F)F)c1Br
InChIInChI=1S/C7H5BrF2N2O3/c1-15-7-5(8)3(6(9)10)2-4(11-7)12(13)14/h2,6H,1H3
InChIKeyCXMYGZUALYXUNB-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine?
The IUPAC name of 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine (CID 130068676) is 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine is COc1nc([N+](=O)[O-])cc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine?
The InChIKey is CXMYGZUALYXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c1-15-7-5(8)3(6(9)10)2-4(11-7)12(13)14/h2,6H,1H3.
What are the key properties of 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine?
3-bromo-4-(difluoromethyl)-2-methoxy-6-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 3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine is sourced from PubChem (CID 130068676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).