2-bromo-4-(3,4-difluorophenyl)pyrimidine

C10H5BrF2N2 — CID 116904257

IUPAC2-bromo-4-(3,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2ccnc(Br)n2)cc1F
InChIInChI=1S/C10H5BrF2N2/c11-10-14-4-3-9(15-10)6-1-2-7(12)8(13)5-6/h1-5H
InChIKeySDMBUXKTKRIFLH-UHFFFAOYSA-N
MW271.06 g/mol
LogP3.18
Rot. Bonds1

About 2-bromo-4-(3,4-difluorophenyl)pyrimidine

2-bromo-4-(3,4-difluorophenyl)pyrimidine (PubChem CID 116904257) has the molecular formula C10H5BrF2N2 and a molecular weight of 271.06 g/mol. Its IUPAC name is 2-bromo-4-(3,4-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(3,4-difluorophenyl)pyrimidine
PubChem CID116904257
Molecular FormulaC10H5BrF2N2
Molecular Weight271.06 g/mol
Exact Mass269.96
IUPAC Name2-bromo-4-(3,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2ccnc(Br)n2)cc1F
InChIInChI=1S/C10H5BrF2N2/c11-10-14-4-3-9(15-10)6-1-2-7(12)8(13)5-6/h1-5H
InChIKeySDMBUXKTKRIFLH-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,4-difluorophenyl)pyrimidine?
The IUPAC name of 2-bromo-4-(3,4-difluorophenyl)pyrimidine (CID 116904257) is 2-bromo-4-(3,4-difluorophenyl)pyrimidine.
What is the SMILES notation for 2-bromo-4-(3,4-difluorophenyl)pyrimidine?
The canonical SMILES for 2-bromo-4-(3,4-difluorophenyl)pyrimidine is Fc1ccc(-c2ccnc(Br)n2)cc1F.
What is the InChIKey of 2-bromo-4-(3,4-difluorophenyl)pyrimidine?
The InChIKey is SDMBUXKTKRIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2/c11-10-14-4-3-9(15-10)6-1-2-7(12)8(13)5-6/h1-5H.
What are the key properties of 2-bromo-4-(3,4-difluorophenyl)pyrimidine?
2-bromo-4-(3,4-difluorophenyl)pyrimidine has a molecular weight of 271.06 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,4-difluorophenyl)pyrimidine is sourced from PubChem (CID 116904257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).