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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Related Compounds

2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]acetonitrile
CID 116900984
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
(E)-3-[4-(3,4-difluorophenyl)pyrimidin-2-yl]prop-2-enoic acid
CID 116901718
[1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902550
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
CID 116903072
4-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-2-one
CID 116901657
ethyl 4-(3,4-difluorophenyl)pyrimidine-2-carboxylate
CID 116903632
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883
4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 104609469
3-bromo-2-(3,4-difluorophenyl)pyridine
CID 130058353
5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 117001013

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).