6-bromo-3-fluoro-3-methyl-2H-pyridine

C6H7BrFN — CID 142799745

IUPAC6-bromo-3-fluoro-3-methyl-2H-pyridine
SMILESCC1(F)C=CC(Br)=NC1
InChIInChI=1S/C6H7BrFN/c1-6(8)3-2-5(7)9-4-6/h2-3H,4H2,1H3
InChIKeyCLENWTJUKXMSFZ-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.08
Rot. Bonds

About 6-bromo-3-fluoro-3-methyl-2H-pyridine

6-bromo-3-fluoro-3-methyl-2H-pyridine (PubChem CID 142799745) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 6-bromo-3-fluoro-3-methyl-2H-pyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-3-methyl-2H-pyridine
PubChem CID142799745
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name6-bromo-3-fluoro-3-methyl-2H-pyridine
SMILESCC1(F)C=CC(Br)=NC1
InChIInChI=1S/C6H7BrFN/c1-6(8)3-2-5(7)9-4-6/h2-3H,4H2,1H3
InChIKeyCLENWTJUKXMSFZ-UHFFFAOYSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2-fluoro-6-methyl-2,3-dihydropyridine
CID 118196257
6-Bromo-3-fluoro-2,3-dihydropyridine
CID 123887504
6-Bromo-3,5-difluoro-2,3-dihydropyridine
CID 146397651
6-Bromo-2,3-dihydropyridine
CID 68374044
6-Bromo-3-methyl-2,3-dihydropyridine
CID 149312731

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-3-methyl-2H-pyridine?
The IUPAC name of 6-bromo-3-fluoro-3-methyl-2H-pyridine (CID 142799745) is 6-bromo-3-fluoro-3-methyl-2H-pyridine.
What is the SMILES notation for 6-bromo-3-fluoro-3-methyl-2H-pyridine?
The canonical SMILES for 6-bromo-3-fluoro-3-methyl-2H-pyridine is CC1(F)C=CC(Br)=NC1.
What is the InChIKey of 6-bromo-3-fluoro-3-methyl-2H-pyridine?
The InChIKey is CLENWTJUKXMSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-6(8)3-2-5(7)9-4-6/h2-3H,4H2,1H3.
What are the key properties of 6-bromo-3-fluoro-3-methyl-2H-pyridine?
6-bromo-3-fluoro-3-methyl-2H-pyridine has a molecular weight of 192.03 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-3-methyl-2H-pyridine is sourced from PubChem (CID 142799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).