3-bromo-5-fluoro-1-methyl-2H-pyridine

C6H7BrFN — CID 123534303

IUPAC3-bromo-5-fluoro-1-methyl-2H-pyridine
SMILESCN1C=C(F)C=C(Br)C1
InChIInChI=1S/C6H7BrFN/c1-9-3-5(7)2-6(8)4-9/h2,4H,3H2,1H3
InChIKeyIXTROKIGJPPVDG-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.02
Rot. Bonds

About 3-bromo-5-fluoro-1-methyl-2H-pyridine

3-bromo-5-fluoro-1-methyl-2H-pyridine (PubChem CID 123534303) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-1-methyl-2H-pyridine
PubChem CID123534303
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name3-bromo-5-fluoro-1-methyl-2H-pyridine
SMILESCN1C=C(F)C=C(Br)C1
InChIInChI=1S/C6H7BrFN/c1-9-3-5(7)2-6(8)4-9/h2,4H,3H2,1H3
InChIKeyIXTROKIGJPPVDG-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-(difluoromethyl)-2H-pyridine
CID 141274025
5-bromo-1-(2-fluoroethyl)-2H-pyridine
CID 141279726
(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine
CID 143981077
5-bromo-2-fluoro-1-methyl-2H-pyridine
CID 146392519
3-bromo-5-fluoro-2H-pyridin-1-ide
CID 147602087
4-bromo-1-(difluoromethyl)-2H-pyridine
CID 151040212
5-bromo-2-fluoro-1-propan-2-yl-2H-pyridine
CID 163520131
6-bromo-4-fluoro-1-methyl-2H-pyridine
CID 166837368
2-bromo-5-fluoro-1-methyl-2H-pyridine
CID 175740682
4-bromo-1-(fluoromethyl)-2H-pyridine
CID 175836994
5-bromo-1-(difluoromethyl)-3-methyl-2H-pyridine
CID 175955975
5-bromo-1-methyl-3-(trifluoromethyl)-2H-pyridine
CID 150726126

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1-methyl-2H-pyridine?
The IUPAC name of 3-bromo-5-fluoro-1-methyl-2H-pyridine (CID 123534303) is 3-bromo-5-fluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 3-bromo-5-fluoro-1-methyl-2H-pyridine?
The canonical SMILES for 3-bromo-5-fluoro-1-methyl-2H-pyridine is CN1C=C(F)C=C(Br)C1.
What is the InChIKey of 3-bromo-5-fluoro-1-methyl-2H-pyridine?
The InChIKey is IXTROKIGJPPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-9-3-5(7)2-6(8)4-9/h2,4H,3H2,1H3.
What are the key properties of 3-bromo-5-fluoro-1-methyl-2H-pyridine?
3-bromo-5-fluoro-1-methyl-2H-pyridine has a molecular weight of 192.03 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 123534303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).