5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine

C5H4BrClFN — CID 171049279

IUPAC5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine
SMILESFC1=C(Br)C=C(Cl)CN1
InChIInChI=1S/C5H4BrClFN/c6-4-1-3(7)2-9-5(4)8/h1,9H,2H2
InChIKeyLBYUZQBDJAAPBO-UHFFFAOYSA-N
MW212.45 g/mol
LogP2.25
Rot. Bonds

About 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine

5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine (PubChem CID 171049279) has the molecular formula C5H4BrClFN and a molecular weight of 212.45 g/mol. Its IUPAC name is 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine
PubChem CID171049279
Molecular FormulaC5H4BrClFN
Molecular Weight212.45 g/mol
Exact Mass210.92
IUPAC Name5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine
SMILESFC1=C(Br)C=C(Cl)CN1
InChIInChI=1S/C5H4BrClFN/c6-4-1-3(7)2-9-5(4)8/h1,9H,2H2
InChIKeyLBYUZQBDJAAPBO-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-6-fluoro-1,2-dihydropyridine
CID 126729724
3-Bromo-5-fluoro-1,2-dihydropyridine
CID 147602088
3-Bromo-5,6-difluoro-1,2-dihydropyridine
CID 156033067
6-Chloro-3-fluoro-1,2-dihydropyridine
CID 173050584
3-Chloro-5-fluoro-1,2-dihydropyridine
CID 173559436
6-Bromo-3-fluoro-1,2-dihydropyridine
CID 173642787
4-Bromo-5-chloro-1,2-dihydropyridine
CID 19045902
5-Bromo-3-chloro-1,2-dihydropyridin-2-amine
CID 131970510
5-Bromo-3-chloro-1,2-dihydropyridin-6-amine
CID 174278122
CID 150083067
CID 150083067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine?
The IUPAC name of 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine (CID 171049279) is 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine?
The canonical SMILES for 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine is FC1=C(Br)C=C(Cl)CN1.
What is the InChIKey of 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine?
The InChIKey is LBYUZQBDJAAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClFN/c6-4-1-3(7)2-9-5(4)8/h1,9H,2H2.
What are the key properties of 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine?
5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine has a molecular weight of 212.45 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-6-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 171049279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).