5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine

C10H5BrF2N2S — CID 66320756

IUPAC5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2ncncc2Br)cc1F
InChIInChI=1S/C10H5BrF2N2S/c11-7-4-14-5-15-10(7)16-6-1-2-8(12)9(13)3-6/h1-5H
InChIKeyRDJKVCJEHSEGDM-UHFFFAOYSA-N
MW303.13 g/mol
LogP3.67
Rot. Bonds2

About 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine

5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine (PubChem CID 66320756) has the molecular formula C10H5BrF2N2S and a molecular weight of 303.13 g/mol. Its IUPAC name is 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine
PubChem CID66320756
Molecular FormulaC10H5BrF2N2S
Molecular Weight303.13 g/mol
Exact Mass301.93
IUPAC Name5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine
SMILESFc1ccc(Sc2ncncc2Br)cc1F
InChIInChI=1S/C10H5BrF2N2S/c11-7-4-14-5-15-10(7)16-6-1-2-8(12)9(13)3-6/h1-5H
InChIKeyRDJKVCJEHSEGDM-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine (CID 66320756) is 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine is Fc1ccc(Sc2ncncc2Br)cc1F.
What is the InChIKey of 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine?
The InChIKey is RDJKVCJEHSEGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2S/c11-7-4-14-5-15-10(7)16-6-1-2-8(12)9(13)3-6/h1-5H.
What are the key properties of 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine?
5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine has a molecular weight of 303.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,4-difluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 66320756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).