4-bromo-1-(difluoromethyl)-2-methylidenepyridine

C7H6BrF2N — CID 166906320

IUPAC4-bromo-1-(difluoromethyl)-2-methylidenepyridine
SMILESC=C1C=C(Br)C=CN1C(F)F
InChIInChI=1S/C7H6BrF2N/c1-5-4-6(8)2-3-11(5)7(9)10/h2-4,7H,1H2
InChIKeyIUVVEURCIQKJMD-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.83
Rot. Bonds1

About 4-bromo-1-(difluoromethyl)-2-methylidenepyridine

4-bromo-1-(difluoromethyl)-2-methylidenepyridine (PubChem CID 166906320) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-2-methylidenepyridine.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-2-methylidenepyridine
PubChem CID166906320
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name4-bromo-1-(difluoromethyl)-2-methylidenepyridine
SMILESC=C1C=C(Br)C=CN1C(F)F
InChIInChI=1S/C7H6BrF2N/c1-5-4-6(8)2-3-11(5)7(9)10/h2-4,7H,1H2
InChIKeyIUVVEURCIQKJMD-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(difluoromethyl)-1-methyl-2H-pyridine
CID 71173072
5-bromo-1-(difluoromethyl)-2H-pyridine
CID 141274025
5-bromo-2-fluoro-1-methyl-2H-pyridine
CID 146392519
4-bromo-1-(difluoromethyl)-2H-pyridine
CID 151040212
4-bromo-1-(fluoromethyl)-2H-pyridine
CID 175836994
5-bromo-6-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 177778821
5-Bromo-2-ethylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 145669859
5-bromo-1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 153932625
3-bromo-1-(difluoromethyl)-2H-pyridine
CID 175585218
4-Bromo-1-methyl-2-methylidenepyridine
CID 123656555
5-Bromo-1-methyl-2-methylidenepyridine
CID 123888254
3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide
CID 175585217

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)-2-methylidenepyridine?
The IUPAC name of 4-bromo-1-(difluoromethyl)-2-methylidenepyridine (CID 166906320) is 4-bromo-1-(difluoromethyl)-2-methylidenepyridine.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-2-methylidenepyridine?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-2-methylidenepyridine is C=C1C=C(Br)C=CN1C(F)F.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-2-methylidenepyridine?
The InChIKey is IUVVEURCIQKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-5-4-6(8)2-3-11(5)7(9)10/h2-4,7H,1H2.
What are the key properties of 4-bromo-1-(difluoromethyl)-2-methylidenepyridine?
4-bromo-1-(difluoromethyl)-2-methylidenepyridine has a molecular weight of 222.03 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-2-methylidenepyridine is sourced from PubChem (CID 166906320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).