2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine

C9H4Cl2FN3S — CID 79075598

IUPAC2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1ncccc1Cl
InChIInChI=1S/C9H4Cl2FN3S/c10-5-2-1-3-13-7(5)16-8-6(12)4-14-9(11)15-8/h1-4H
InChIKeyFNXTTXGLKSOUOA-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine

2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine (PubChem CID 79075598) has the molecular formula C9H4Cl2FN3S and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine
PubChem CID79075598
Molecular FormulaC9H4Cl2FN3S
Molecular Weight276.12 g/mol
Exact Mass274.95
IUPAC Name2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1ncccc1Cl
InChIInChI=1S/C9H4Cl2FN3S/c10-5-2-1-3-13-7(5)16-8-6(12)4-14-9(11)15-8/h1-4H
InChIKeyFNXTTXGLKSOUOA-UHFFFAOYSA-N
XLogP3.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine (CID 79075598) is 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine is Fc1cnc(Cl)nc1Sc1ncccc1Cl.
What is the InChIKey of 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine?
The InChIKey is FNXTTXGLKSOUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3S/c10-5-2-1-3-13-7(5)16-8-6(12)4-14-9(11)15-8/h1-4H.
What are the key properties of 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine?
2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine has a molecular weight of 276.12 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine is sourced from PubChem (CID 79075598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).