4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol

C15H10BrNOS — CID 104777738

IUPAC4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol
SMILESOc1ccc(Sc2ccncc2Br)c2ccccc12
InChIInChI=1S/C15H10BrNOS/c16-12-9-17-8-7-15(12)19-14-6-5-13(18)10-3-1-2-4-11(10)14/h1-9,18H
InChIKeyLJODKUWAMQRCMG-UHFFFAOYSA-N
MW332.22 g/mol
LogP4.85
Rot. Bonds2

About 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol

4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol (PubChem CID 104777738) has the molecular formula C15H10BrNOS and a molecular weight of 332.22 g/mol. Its IUPAC name is 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol
PubChem CID104777738
Molecular FormulaC15H10BrNOS
Molecular Weight332.22 g/mol
Exact Mass330.97
IUPAC Name4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol
SMILESOc1ccc(Sc2ccncc2Br)c2ccccc12
InChIInChI=1S/C15H10BrNOS/c16-12-9-17-8-7-15(12)19-14-6-5-13(18)10-3-1-2-4-11(10)14/h1-9,18H
InChIKeyLJODKUWAMQRCMG-UHFFFAOYSA-N
XLogP4.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol (CID 104777738) is 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol is Oc1ccc(Sc2ccncc2Br)c2ccccc12.
What is the InChIKey of 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol?
The InChIKey is LJODKUWAMQRCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNOS/c16-12-9-17-8-7-15(12)19-14-6-5-13(18)10-3-1-2-4-11(10)14/h1-9,18H.
What are the key properties of 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol?
4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol has a molecular weight of 332.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol is sourced from PubChem (CID 104777738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).