3-[(3-chloro-2-pyridinyl)sulfanyl]phenol

C11H8ClNOS — CID 104590879

IUPAC3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
SMILESOc1cccc(Sc2ncccc2Cl)c1
InChIInChI=1S/C11H8ClNOS/c12-10-5-2-6-13-11(10)15-9-4-1-3-8(14)7-9/h1-7,14H
InChIKeyOMOMDZXNSCYQDY-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.59
Rot. Bonds2

About 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol

3-[(3-chloro-2-pyridinyl)sulfanyl]phenol (PubChem CID 104590879) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
PubChem CID104590879
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
SMILESOc1cccc(Sc2ncccc2Cl)c1
InChIInChI=1S/C11H8ClNOS/c12-10-5-2-6-13-11(10)15-9-4-1-3-8(14)7-9/h1-7,14H
InChIKeyOMOMDZXNSCYQDY-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol (CID 104590879) is 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol is Oc1cccc(Sc2ncccc2Cl)c1.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol?
The InChIKey is OMOMDZXNSCYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-10-5-2-6-13-11(10)15-9-4-1-3-8(14)7-9/h1-7,14H.
What are the key properties of 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol?
3-[(3-chloro-2-pyridinyl)sulfanyl]phenol has a molecular weight of 237.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)sulfanyl]phenol is sourced from PubChem (CID 104590879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).