4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine

C15H9F2N3S — CID 11370077

IUPAC4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESFc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1F
InChIInChI=1S/C15H9F2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
InChIKeySBFACNJRXPIVQP-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.97
Rot. Bonds3

About 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine

4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 11370077) has the molecular formula C15H9F2N3S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID11370077
Molecular FormulaC15H9F2N3S
Molecular Weight301.32 g/mol
Exact Mass301.05
IUPAC Name4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESFc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1F
InChIInChI=1S/C15H9F2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
InChIKeySBFACNJRXPIVQP-UHFFFAOYSA-N
XLogP3.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 11370077) is 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine is Fc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is SBFACNJRXPIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H.
What are the key properties of 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 301.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 11370077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).