4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol

C16H13ClN2OS — CID 115945390

IUPAC4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol
SMILESNc1ccc(Cl)c(CSc2ccc(O)c3ccccc23)n1
InChIInChI=1S/C16H13ClN2OS/c17-12-5-8-16(18)19-13(12)9-21-15-7-6-14(20)10-3-1-2-4-11(10)15/h1-8,20H,9H2,(H2,18,19)
InChIKeyTWROBIDHTIIYTE-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.47
Rot. Bonds3

About 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol

4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol (PubChem CID 115945390) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol
PubChem CID115945390
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol
SMILESNc1ccc(Cl)c(CSc2ccc(O)c3ccccc23)n1
InChIInChI=1S/C16H13ClN2OS/c17-12-5-8-16(18)19-13(12)9-21-15-7-6-14(20)10-3-1-2-4-11(10)15/h1-8,20H,9H2,(H2,18,19)
InChIKeyTWROBIDHTIIYTE-UHFFFAOYSA-N
XLogP4.47
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol (CID 115945390) is 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol is Nc1ccc(Cl)c(CSc2ccc(O)c3ccccc23)n1.
What is the InChIKey of 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is TWROBIDHTIIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-12-5-8-16(18)19-13(12)9-21-15-7-6-14(20)10-3-1-2-4-11(10)15/h1-8,20H,9H2,(H2,18,19).
What are the key properties of 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol?
4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 316.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).