2-bromo-1-fluoro-6-methyl-2H-pyrimidine

C5H6BrFN2 — CID 155758602

IUPAC2-bromo-1-fluoro-6-methyl-2H-pyrimidine
SMILESCC1=CC=NC(Br)N1F
InChIInChI=1S/C5H6BrFN2/c1-4-2-3-8-5(6)9(4)7/h2-3,5H,1H3
InChIKeyJMRBNASGFCJUMU-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.84
Rot. Bonds

About 2-bromo-1-fluoro-6-methyl-2H-pyrimidine

2-bromo-1-fluoro-6-methyl-2H-pyrimidine (PubChem CID 155758602) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 2-bromo-1-fluoro-6-methyl-2H-pyrimidine.

Molecular Properties

Compound Name2-bromo-1-fluoro-6-methyl-2H-pyrimidine
PubChem CID155758602
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name2-bromo-1-fluoro-6-methyl-2H-pyrimidine
SMILESCC1=CC=NC(Br)N1F
InChIInChI=1S/C5H6BrFN2/c1-4-2-3-8-5(6)9(4)7/h2-3,5H,1H3
InChIKeyJMRBNASGFCJUMU-UHFFFAOYSA-N
XLogP1.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-6-methyl-2H-pyrimidine?
The IUPAC name of 2-bromo-1-fluoro-6-methyl-2H-pyrimidine (CID 155758602) is 2-bromo-1-fluoro-6-methyl-2H-pyrimidine.
What is the SMILES notation for 2-bromo-1-fluoro-6-methyl-2H-pyrimidine?
The canonical SMILES for 2-bromo-1-fluoro-6-methyl-2H-pyrimidine is CC1=CC=NC(Br)N1F.
What is the InChIKey of 2-bromo-1-fluoro-6-methyl-2H-pyrimidine?
The InChIKey is JMRBNASGFCJUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c1-4-2-3-8-5(6)9(4)7/h2-3,5H,1H3.
What are the key properties of 2-bromo-1-fluoro-6-methyl-2H-pyrimidine?
2-bromo-1-fluoro-6-methyl-2H-pyrimidine has a molecular weight of 193.02 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-6-methyl-2H-pyrimidine is sourced from PubChem (CID 155758602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).