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

C9H4BrClFN3S — CID 79075487

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc(Br)cn1
InChIInChI=1S/C9H4BrClFN3S/c10-5-1-2-7(13-3-5)16-8-6(12)4-14-9(11)15-8/h1-4H
InChIKeyZVNLDRCTHHHLHI-UHFFFAOYSA-N
MW320.57 g/mol
LogP3.58
Rot. Bonds2

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

4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine (PubChem CID 79075487) has the molecular formula C9H4BrClFN3S and a molecular weight of 320.57 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine
PubChem CID79075487
Molecular FormulaC9H4BrClFN3S
Molecular Weight320.57 g/mol
Exact Mass318.90
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc(Br)cn1
InChIInChI=1S/C9H4BrClFN3S/c10-5-1-2-7(13-3-5)16-8-6(12)4-14-9(11)15-8/h1-4H
InChIKeyZVNLDRCTHHHLHI-UHFFFAOYSA-N
XLogP3.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Bromophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11473392
2-Pyridin-2-ylsulfanylpyrimidine
CID 100517
2-Pyridin-4-ylsulfanylpyrimidine
CID 118723746
2-Pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 51033319
4-Methyl-6-(pyridin-2-ylsulfanyl)pyrimidin-2-amine
CID 612506
2-Pyrimidinyl 5-(trifluoromethyl)-2-pyridinyl sulfide
CID 2988972
2-[[(S)-(3-bromo-2-pyridinyl)sulfinyl]methyl]pyrimidine
CID 177664011
4-(4-Fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
CID 11391940
2-(4-Bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
CID 141414238
2-Chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine
CID 142732389
4-(1-Bromoethyl)-2-chloro-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine
CID 142732390
5-[[3-(Trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidine
CID 166514336

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine (CID 79075487) is 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine is Fc1cnc(Cl)nc1Sc1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine?
The InChIKey is ZVNLDRCTHHHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFN3S/c10-5-1-2-7(13-3-5)16-8-6(12)4-14-9(11)15-8/h1-4H.
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine?
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine has a molecular weight of 320.57 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine is sourced from PubChem (CID 79075487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).