2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol

C12H8Cl2FNOS — CID 86189299

IUPAC2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol
SMILESCSc1cnc(-c2cc(O)c(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C12H8Cl2FNOS/c1-18-6-2-9(14)12(16-5-6)7-3-11(17)8(13)4-10(7)15/h2-5,17H,1H3
InChIKeyNVYTVMWLINDSQM-UHFFFAOYSA-N
MW304.17 g/mol
LogP4.62
Rot. Bonds2

About 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol

2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol (PubChem CID 86189299) has the molecular formula C12H8Cl2FNOS and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol
PubChem CID86189299
Molecular FormulaC12H8Cl2FNOS
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol
SMILESCSc1cnc(-c2cc(O)c(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C12H8Cl2FNOS/c1-18-6-2-9(14)12(16-5-6)7-3-11(17)8(13)4-10(7)15/h2-5,17H,1H3
InChIKeyNVYTVMWLINDSQM-UHFFFAOYSA-N
XLogP4.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol?
The IUPAC name of 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol (CID 86189299) is 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol?
The canonical SMILES for 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol is CSc1cnc(-c2cc(O)c(Cl)cc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol?
The InChIKey is NVYTVMWLINDSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNOS/c1-18-6-2-9(14)12(16-5-6)7-3-11(17)8(13)4-10(7)15/h2-5,17H,1H3.
What are the key properties of 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol?
2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol has a molecular weight of 304.17 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-5-methylsulfanyl-2-pyridinyl)-4-fluorophenol is sourced from PubChem (CID 86189299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).