4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine

C12H7BrF3N — CID 165486944

IUPAC4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine
SMILESFc1cccc(Br)c1-c1ccnc(C(F)F)c1
InChIInChI=1S/C12H7BrF3N/c13-8-2-1-3-9(14)11(8)7-4-5-17-10(6-7)12(15)16/h1-6,12H
InChIKeyZPSRYLKBFAXCDS-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.59
Rot. Bonds2

About 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine

4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine (PubChem CID 165486944) has the molecular formula C12H7BrF3N and a molecular weight of 302.09 g/mol. Its IUPAC name is 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine
PubChem CID165486944
Molecular FormulaC12H7BrF3N
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine
SMILESFc1cccc(Br)c1-c1ccnc(C(F)F)c1
InChIInChI=1S/C12H7BrF3N/c13-8-2-1-3-9(14)11(8)7-4-5-17-10(6-7)12(15)16/h1-6,12H
InChIKeyZPSRYLKBFAXCDS-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine?
The IUPAC name of 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine (CID 165486944) is 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine.
What is the SMILES notation for 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine?
The canonical SMILES for 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine is Fc1cccc(Br)c1-c1ccnc(C(F)F)c1.
What is the InChIKey of 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine?
The InChIKey is ZPSRYLKBFAXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N/c13-8-2-1-3-9(14)11(8)7-4-5-17-10(6-7)12(15)16/h1-6,12H.
What are the key properties of 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine?
4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine has a molecular weight of 302.09 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluorophenyl)-2-(difluoromethyl)pyridine is sourced from PubChem (CID 165486944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).