3-bromo-2-(difluoromethyl)pyridine

C6H4BrF2N — CID 54758836

IUPAC3-bromo-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncccc1Br
InChIInChI=1S/C6H4BrF2N/c7-4-2-1-3-10-5(4)6(8)9/h1-3,6H
InChIKeyMDRUEFNPMGSINM-UHFFFAOYSA-N
MW208.01 g/mol
LogP2.78
Rot. Bonds1

About 3-bromo-2-(difluoromethyl)pyridine

3-bromo-2-(difluoromethyl)pyridine (PubChem CID 54758836) has the molecular formula C6H4BrF2N and a molecular weight of 208.01 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)pyridine
PubChem CID54758836
Molecular FormulaC6H4BrF2N
Molecular Weight208.01 g/mol
Exact Mass206.95
IUPAC Name3-bromo-2-(difluoromethyl)pyridine
SMILESFC(F)c1ncccc1Br
InChIInChI=1S/C6H4BrF2N/c7-4-2-1-3-10-5(4)6(8)9/h1-3,6H
InChIKeyMDRUEFNPMGSINM-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.01
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide
CID 166000320
3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
CID 63198435
1-(3-bromo-2-pyridinyl)-3-methylbut-2-en-1-ol
CID 107526497
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
4-bromo-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118817041
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671
2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine
CID 82665316
1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348316
1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 99981108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-(difluoromethyl)pyridine (CID 54758836) is 3-bromo-2-(difluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-(difluoromethyl)pyridine is FC(F)c1ncccc1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)pyridine?
The InChIKey is MDRUEFNPMGSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N/c7-4-2-1-3-10-5(4)6(8)9/h1-3,6H.
What are the key properties of 3-bromo-2-(difluoromethyl)pyridine?
3-bromo-2-(difluoromethyl)pyridine has a molecular weight of 208.01 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)pyridine is sourced from PubChem (CID 54758836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).