3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol

C15H10ClNOS — CID 46887579

IUPAC3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol
SMILESOc1cccc(-c2ccnc(-c3ccc(Cl)s3)c2)c1
InChIInChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)13-9-11(6-7-17-13)10-2-1-3-12(18)8-10/h1-9,18H
InChIKeyIJRUJPYMZCIXQJ-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.84
Rot. Bonds2

About 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol

3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol (PubChem CID 46887579) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol
PubChem CID46887579
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol
SMILESOc1cccc(-c2ccnc(-c3ccc(Cl)s3)c2)c1
InChIInChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)13-9-11(6-7-17-13)10-2-1-3-12(18)8-10/h1-9,18H
InChIKeyIJRUJPYMZCIXQJ-UHFFFAOYSA-N
XLogP4.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol (CID 46887579) is 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol is Oc1cccc(-c2ccnc(-c3ccc(Cl)s3)c2)c1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol?
The InChIKey is IJRUJPYMZCIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)13-9-11(6-7-17-13)10-2-1-3-12(18)8-10/h1-9,18H.
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol?
3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol has a molecular weight of 287.77 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-4-pyridinyl]phenol is sourced from PubChem (CID 46887579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).