5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine

C7H8BrF2N — CID 175748011

IUPAC5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine
SMILESCN1C=C(Br)C(C(F)F)=CC1
InChIInChI=1S/C7H8BrF2N/c1-11-3-2-5(7(9)10)6(8)4-11/h2,4,7H,3H2,1H3
InChIKeyZNBPSTWVKJYNKC-UHFFFAOYSA-N
MW224.05 g/mol
LogP2.36
Rot. Bonds1

About 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine

5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine (PubChem CID 175748011) has the molecular formula C7H8BrF2N and a molecular weight of 224.05 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine
PubChem CID175748011
Molecular FormulaC7H8BrF2N
Molecular Weight224.05 g/mol
Exact Mass222.98
IUPAC Name5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine
SMILESCN1C=C(Br)C(C(F)F)=CC1
InChIInChI=1S/C7H8BrF2N/c1-11-3-2-5(7(9)10)6(8)4-11/h2,4,7H,3H2,1H3
InChIKeyZNBPSTWVKJYNKC-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine (CID 175748011) is 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine is CN1C=C(Br)C(C(F)F)=CC1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine?
The InChIKey is ZNBPSTWVKJYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N/c1-11-3-2-5(7(9)10)6(8)4-11/h2,4,7H,3H2,1H3.
What are the key properties of 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine?
5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine has a molecular weight of 224.05 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 175748011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).