2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine

C13H10ClFN2S — CID 79075917

IUPAC2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C13H10ClFN2S/c14-13-16-7-11(15)12(17-13)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2
InChIKeyHOFNIAZXPOQIHX-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine

2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine (PubChem CID 79075917) has the molecular formula C13H10ClFN2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
PubChem CID79075917
Molecular FormulaC13H10ClFN2S
Molecular Weight280.75 g/mol
Exact Mass280.02
IUPAC Name2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C13H10ClFN2S/c14-13-16-7-11(15)12(17-13)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2
InChIKeyHOFNIAZXPOQIHX-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine (CID 79075917) is 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine is Fc1cnc(Cl)nc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine?
The InChIKey is HOFNIAZXPOQIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2S/c14-13-16-7-11(15)12(17-13)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2.
What are the key properties of 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine?
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine has a molecular weight of 280.75 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine is sourced from PubChem (CID 79075917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).