3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine

C15H11Cl2F2NOS — CID 167896604

IUPAC3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine
SMILESO=S(Cc1c(Cl)cncc1Cl)C1CCc2c(F)ccc(F)c21
InChIInChI=1S/C15H11Cl2F2NOS/c16-10-5-20-6-11(17)9(10)7-22(21)14-4-1-8-12(18)2-3-13(19)15(8)14/h2-3,5-6,14H,1,4,7H2
InChIKeyUCLKLPBSOLCEDA-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.60
Rot. Bonds3

About 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine

3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine (PubChem CID 167896604) has the molecular formula C15H11Cl2F2NOS and a molecular weight of 362.23 g/mol. Its IUPAC name is 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine
PubChem CID167896604
Molecular FormulaC15H11Cl2F2NOS
Molecular Weight362.23 g/mol
Exact Mass360.99
IUPAC Name3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine
SMILESO=S(Cc1c(Cl)cncc1Cl)C1CCc2c(F)ccc(F)c21
InChIInChI=1S/C15H11Cl2F2NOS/c16-10-5-20-6-11(17)9(10)7-22(21)14-4-1-8-12(18)2-3-13(19)15(8)14/h2-3,5-6,14H,1,4,7H2
InChIKeyUCLKLPBSOLCEDA-UHFFFAOYSA-N
XLogP4.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine?
The IUPAC name of 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine (CID 167896604) is 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine.
What is the SMILES notation for 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine?
The canonical SMILES for 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine is O=S(Cc1c(Cl)cncc1Cl)C1CCc2c(F)ccc(F)c21.
What is the InChIKey of 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine?
The InChIKey is UCLKLPBSOLCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2NOS/c16-10-5-20-6-11(17)9(10)7-22(21)14-4-1-8-12(18)2-3-13(19)15(8)14/h2-3,5-6,14H,1,4,7H2.
What are the key properties of 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine?
3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine has a molecular weight of 362.23 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine is sourced from PubChem (CID 167896604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).