2-(bromomethyl)-2-fluoro-1H-pyridine

C6H7BrFN — CID 66848478

IUPAC2-(bromomethyl)-2-fluoro-1H-pyridine
SMILESFC1(CBr)C=CC=CN1
InChIInChI=1S/C6H7BrFN/c7-5-6(8)3-1-2-4-9-6/h1-4,9H,5H2
InChIKeyYSENTZLQGATMAL-UHFFFAOYSA-N
MW192.03 g/mol
LogP1.72
Rot. Bonds1

About 2-(bromomethyl)-2-fluoro-1H-pyridine

2-(bromomethyl)-2-fluoro-1H-pyridine (PubChem CID 66848478) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 2-(bromomethyl)-2-fluoro-1H-pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-2-fluoro-1H-pyridine
PubChem CID66848478
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name2-(bromomethyl)-2-fluoro-1H-pyridine
SMILESFC1(CBr)C=CC=CN1
InChIInChI=1S/C6H7BrFN/c7-5-6(8)3-1-2-4-9-6/h1-4,9H,5H2
InChIKeyYSENTZLQGATMAL-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 51.72
H-Bond Donors ≤ 51
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

2-Fluoropicoline
CID 69611625
2-Bromopicoline
CID 68644332
2-bromo-2-(trifluoromethyl)-1H-pyridine
CID 66918749
2-bromo-3-fluoro-2-methyl-1H-pyridine
CID 68597580
2-(bromomethyl)-2-(trifluoromethyl)-1H-pyridine
CID 69953831
2-Bromo-5-(trifluoromethyl)-1,2-dihydropyridine
CID 131970483
2-(3-bromoprop-1-ynyl)-2-fluoro-1H-pyridine
CID 146626828
2-bromo-5-fluoro-2-(trifluoromethyl)-1H-pyridine
CID 151300009
4-bromo-2-fluoro-1H-pyridine-2-carbonitrile
CID 151874034
2-bromo-2-(difluoromethyl)-1H-pyridine
CID 153985505
4-bromo-2-fluoro-2-methyl-1H-pyridine
CID 163607972
5-Bromo-2-(trifluoromethyl)-1,2-dihydropyridine
CID 173134338

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-fluoro-1H-pyridine?
The IUPAC name of 2-(bromomethyl)-2-fluoro-1H-pyridine (CID 66848478) is 2-(bromomethyl)-2-fluoro-1H-pyridine.
What is the SMILES notation for 2-(bromomethyl)-2-fluoro-1H-pyridine?
The canonical SMILES for 2-(bromomethyl)-2-fluoro-1H-pyridine is FC1(CBr)C=CC=CN1.
What is the InChIKey of 2-(bromomethyl)-2-fluoro-1H-pyridine?
The InChIKey is YSENTZLQGATMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c7-5-6(8)3-1-2-4-9-6/h1-4,9H,5H2.
What are the key properties of 2-(bromomethyl)-2-fluoro-1H-pyridine?
2-(bromomethyl)-2-fluoro-1H-pyridine has a molecular weight of 192.03 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-fluoro-1H-pyridine is sourced from PubChem (CID 66848478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).