5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine

C13H12BrClFN — CID 150852808

IUPAC5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine
SMILESCC1=CC(Br)=CN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H12BrClFN/c1-9-5-10(14)7-17(6-9)8-11-12(15)3-2-4-13(11)16/h2-5,7H,6,8H2,1H3
InChIKeyKQJNAGABFWPJFX-UHFFFAOYSA-N
MW316.60 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine

5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine (PubChem CID 150852808) has the molecular formula C13H12BrClFN and a molecular weight of 316.60 g/mol. Its IUPAC name is 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine
PubChem CID150852808
Molecular FormulaC13H12BrClFN
Molecular Weight316.60 g/mol
Exact Mass314.98
IUPAC Name5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine
SMILESCC1=CC(Br)=CN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H12BrClFN/c1-9-5-10(14)7-17(6-9)8-11-12(15)3-2-4-13(11)16/h2-5,7H,6,8H2,1H3
InChIKeyKQJNAGABFWPJFX-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine?
The IUPAC name of 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine (CID 150852808) is 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine.
What is the SMILES notation for 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine?
The canonical SMILES for 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine is CC1=CC(Br)=CN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine?
The InChIKey is KQJNAGABFWPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN/c1-9-5-10(14)7-17(6-9)8-11-12(15)3-2-4-13(11)16/h2-5,7H,6,8H2,1H3.
What are the key properties of 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine?
5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine has a molecular weight of 316.60 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine is sourced from PubChem (CID 150852808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).