2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine

C10H8N4O2S — CID 901969

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine
SMILESNc1cccnc1Sc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H8N4O2S/c11-8-2-1-5-12-10(8)17-9-4-3-7(6-13-9)14(15)16/h1-6H,11H2
InChIKeyJVOKFXMOTGUTFQ-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.12
Rot. Bonds3

About 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine

2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine (PubChem CID 901969) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine
PubChem CID901969
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine
SMILESNc1cccnc1Sc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H8N4O2S/c11-8-2-1-5-12-10(8)17-9-4-3-7(6-13-9)14(15)16/h1-6H,11H2
InChIKeyJVOKFXMOTGUTFQ-UHFFFAOYSA-N
XLogP2.12
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine (CID 901969) is 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine is Nc1cccnc1Sc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine?
The InChIKey is JVOKFXMOTGUTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c11-8-2-1-5-12-10(8)17-9-4-3-7(6-13-9)14(15)16/h1-6H,11H2.
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine?
2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine has a molecular weight of 248.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 901969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).