4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol

C15H10N2O3S — CID 115945326

IUPAC4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccnc(Sc2ccc(O)c3ccccc23)c1
InChIInChI=1S/C15H10N2O3S/c18-13-5-6-14(12-4-2-1-3-11(12)13)21-15-9-10(17(19)20)7-8-16-15/h1-9,18H
InChIKeyFPXXYBGZGBGUKN-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.00
Rot. Bonds3

About 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol

4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol (PubChem CID 115945326) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol
PubChem CID115945326
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccnc(Sc2ccc(O)c3ccccc23)c1
InChIInChI=1S/C15H10N2O3S/c18-13-5-6-14(12-4-2-1-3-11(12)13)21-15-9-10(17(19)20)7-8-16-15/h1-9,18H
InChIKeyFPXXYBGZGBGUKN-UHFFFAOYSA-N
XLogP4.00
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol (CID 115945326) is 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol is O=[N+]([O-])c1ccnc(Sc2ccc(O)c3ccccc23)c1.
What is the InChIKey of 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol?
The InChIKey is FPXXYBGZGBGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-13-5-6-14(12-4-2-1-3-11(12)13)21-15-9-10(17(19)20)7-8-16-15/h1-9,18H.
What are the key properties of 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol?
4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol has a molecular weight of 298.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).