4-(2-bromophenyl)-2-(difluoromethyl)pyridine

C12H8BrF2N — CID 165486885

IUPAC4-(2-bromophenyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C12H8BrF2N/c13-10-4-2-1-3-9(10)8-5-6-16-11(7-8)12(14)15/h1-7,12H
InChIKeyUPECXUBDVYAMNV-UHFFFAOYSA-N
MW284.10 g/mol
LogP4.45
Rot. Bonds2

About 4-(2-bromophenyl)-2-(difluoromethyl)pyridine

4-(2-bromophenyl)-2-(difluoromethyl)pyridine (PubChem CID 165486885) has the molecular formula C12H8BrF2N and a molecular weight of 284.10 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(difluoromethyl)pyridine
PubChem CID165486885
Molecular FormulaC12H8BrF2N
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name4-(2-bromophenyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C12H8BrF2N/c13-10-4-2-1-3-9(10)8-5-6-16-11(7-8)12(14)15/h1-7,12H
InChIKeyUPECXUBDVYAMNV-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(difluoromethyl)pyridine?
The IUPAC name of 4-(2-bromophenyl)-2-(difluoromethyl)pyridine (CID 165486885) is 4-(2-bromophenyl)-2-(difluoromethyl)pyridine.
What is the SMILES notation for 4-(2-bromophenyl)-2-(difluoromethyl)pyridine?
The canonical SMILES for 4-(2-bromophenyl)-2-(difluoromethyl)pyridine is FC(F)c1cc(-c2ccccc2Br)ccn1.
What is the InChIKey of 4-(2-bromophenyl)-2-(difluoromethyl)pyridine?
The InChIKey is UPECXUBDVYAMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N/c13-10-4-2-1-3-9(10)8-5-6-16-11(7-8)12(14)15/h1-7,12H.
What are the key properties of 4-(2-bromophenyl)-2-(difluoromethyl)pyridine?
4-(2-bromophenyl)-2-(difluoromethyl)pyridine has a molecular weight of 284.10 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(difluoromethyl)pyridine is sourced from PubChem (CID 165486885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).