4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine

C6H4BrCl2FN2 — CID 57171266

IUPAC4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine
SMILESC[C@H](Br)c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C6H4BrCl2FN2/c1-2(7)4-3(10)5(8)12-6(9)11-4/h2H,1H3/t2-/m0/s1
InChIKeyAZJXRKANGIKJQD-REOHCLBHSA-N
MW273.92 g/mol
LogP3.38
Rot. Bonds1

About 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine

4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine (PubChem CID 57171266) has the molecular formula C6H4BrCl2FN2 and a molecular weight of 273.92 g/mol. Its IUPAC name is 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine
PubChem CID57171266
Molecular FormulaC6H4BrCl2FN2
Molecular Weight273.92 g/mol
Exact Mass271.89
IUPAC Name4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine
SMILESC[C@H](Br)c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C6H4BrCl2FN2/c1-2(7)4-3(10)5(8)12-6(9)11-4/h2H,1H3/t2-/m0/s1
InChIKeyAZJXRKANGIKJQD-REOHCLBHSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.92
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine (CID 57171266) is 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine is C[C@H](Br)c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine?
The InChIKey is AZJXRKANGIKJQD-REOHCLBHSA-N. The full InChI is InChI=1S/C6H4BrCl2FN2/c1-2(7)4-3(10)5(8)12-6(9)11-4/h2H,1H3/t2-/m0/s1.
What are the key properties of 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine?
4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine has a molecular weight of 273.92 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 57171266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).