3-bromo-1-(difluoromethyl)-2H-pyridine

C6H6BrF2N — CID 175585218

IUPAC3-bromo-1-(difluoromethyl)-2H-pyridine
SMILESFC(F)N1C=CC=C(Br)C1
InChIInChI=1S/C6H6BrF2N/c7-5-2-1-3-10(4-5)6(8)9/h1-3,6H,4H2
InChIKeyBHIGVYGUCBMYEF-UHFFFAOYSA-N
MW210.02 g/mol
LogP2.32
Rot. Bonds1

About 3-bromo-1-(difluoromethyl)-2H-pyridine

3-bromo-1-(difluoromethyl)-2H-pyridine (PubChem CID 175585218) has the molecular formula C6H6BrF2N and a molecular weight of 210.02 g/mol. Its IUPAC name is 3-bromo-1-(difluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name3-bromo-1-(difluoromethyl)-2H-pyridine
PubChem CID175585218
Molecular FormulaC6H6BrF2N
Molecular Weight210.02 g/mol
Exact Mass208.97
IUPAC Name3-bromo-1-(difluoromethyl)-2H-pyridine
SMILESFC(F)N1C=CC=C(Br)C1
InChIInChI=1S/C6H6BrF2N/c7-5-2-1-3-10(4-5)6(8)9/h1-3,6H,4H2
InChIKeyBHIGVYGUCBMYEF-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 52.32
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

1-(trifluoromethyl)-2H-pyridine
CID 91615672
3-bromo-5-fluoro-1-methyl-2H-pyridine
CID 123534303
5-bromo-1-(difluoromethyl)-2H-pyridine
CID 141274025
5-bromo-1-(2-fluoroethyl)-2H-pyridine
CID 141279726
5-bromo-2-fluoro-1-methyl-2H-pyridine
CID 146392519
3-bromo-5-fluoro-2H-pyridin-1-ide
CID 147602087
4-bromo-1-(difluoromethyl)-2H-pyridine
CID 151040212
1-(difluoromethyl)-2H-pyridine
CID 154298440
4-Bromo-1-(difluoromethyl)-2-methylidenepyridine
CID 166906320
2,2-Difluoro-1-methylpyridine
CID 174972839
4-bromo-1-(fluoromethyl)-2H-pyridine
CID 175836994
5-Bromo-2-ethylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 145669859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(difluoromethyl)-2H-pyridine?
The IUPAC name of 3-bromo-1-(difluoromethyl)-2H-pyridine (CID 175585218) is 3-bromo-1-(difluoromethyl)-2H-pyridine.
What is the SMILES notation for 3-bromo-1-(difluoromethyl)-2H-pyridine?
The canonical SMILES for 3-bromo-1-(difluoromethyl)-2H-pyridine is FC(F)N1C=CC=C(Br)C1.
What is the InChIKey of 3-bromo-1-(difluoromethyl)-2H-pyridine?
The InChIKey is BHIGVYGUCBMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N/c7-5-2-1-3-10(4-5)6(8)9/h1-3,6H,4H2.
What are the key properties of 3-bromo-1-(difluoromethyl)-2H-pyridine?
3-bromo-1-(difluoromethyl)-2H-pyridine has a molecular weight of 210.02 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(difluoromethyl)-2H-pyridine is sourced from PubChem (CID 175585218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).