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

C6H7BrFN — CID 175740682

IUPAC2-bromo-5-fluoro-1-methyl-2H-pyridine
SMILESCN1C=C(F)C=CC1Br
InChIInChI=1S/C6H7BrFN/c1-9-4-5(8)2-3-6(9)7/h2-4,6H,1H3
InChIKeyOOVDEKFCDNDESW-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.02
Rot. Bonds

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

2-bromo-5-fluoro-1-methyl-2H-pyridine (PubChem CID 175740682) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 2-bromo-5-fluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-bromo-5-fluoro-1-methyl-2H-pyridine
PubChem CID175740682
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name2-bromo-5-fluoro-1-methyl-2H-pyridine
SMILESCN1C=C(F)C=CC1Br
InChIInChI=1S/C6H7BrFN/c1-9-4-5(8)2-3-6(9)7/h2-4,6H,1H3
InChIKeyOOVDEKFCDNDESW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-2-bromopyridine
CID 86653545
3-bromo-5-fluoro-1-methyl-2H-pyridine
CID 123534303
5-bromo-1-(difluoromethyl)-2H-pyridine
CID 141274025
5-bromo-1-(2-fluoroethyl)-2H-pyridine
CID 141279726
5-fluoro-1-methyl-2H-pyridine
CID 145510284
5-bromo-2-fluoro-1-methyl-2H-pyridine
CID 146392519
3-bromo-5-fluoro-2H-pyridin-1-ide
CID 147602087
6-bromo-4-fluoro-1-methyl-2H-pyridine
CID 166837368
4-bromo-1-(fluoromethyl)-2H-pyridine
CID 175836994
2-bromo-1-ethyl-2H-pyridine
CID 411856
2-bromo-1-methyl-2H-pyridine
CID 19815833
(+/-)-1-(1-Bromoethyl)pyridine
CID 23094006

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-1-methyl-2H-pyridine?
The IUPAC name of 2-bromo-5-fluoro-1-methyl-2H-pyridine (CID 175740682) is 2-bromo-5-fluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 2-bromo-5-fluoro-1-methyl-2H-pyridine?
The canonical SMILES for 2-bromo-5-fluoro-1-methyl-2H-pyridine is CN1C=C(F)C=CC1Br.
What is the InChIKey of 2-bromo-5-fluoro-1-methyl-2H-pyridine?
The InChIKey is OOVDEKFCDNDESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-9-4-5(8)2-3-6(9)7/h2-4,6H,1H3.
What are the key properties of 2-bromo-5-fluoro-1-methyl-2H-pyridine?
2-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 2-bromo-5-fluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 175740682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).