2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine

C11H10N4O2S — CID 121006270

IUPAC2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine
SMILESCSc1ncccc1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H10N4O2S/c1-18-11-9(3-2-6-12-11)14-10-5-4-8(7-13-10)15(16)17/h2-7H,1H3,(H,13,14)
InChIKeyXZIRYPLYHBJUFG-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.85
Rot. Bonds4

About 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine

2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine (PubChem CID 121006270) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine
PubChem CID121006270
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine
SMILESCSc1ncccc1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H10N4O2S/c1-18-11-9(3-2-6-12-11)14-10-5-4-8(7-13-10)15(16)17/h2-7H,1H3,(H,13,14)
InChIKeyXZIRYPLYHBJUFG-UHFFFAOYSA-N
XLogP2.85
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.85
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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Related Compounds

N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine
CID 45035606
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 47235500
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
CID 133387431
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
CID 71500752
N-(5-nitro-2-pyridinyl)formamide
CID 91754326

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
The IUPAC name of 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine (CID 121006270) is 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
The canonical SMILES for 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine is CSc1ncccc1Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
The InChIKey is XZIRYPLYHBJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-18-11-9(3-2-6-12-11)14-10-5-4-8(7-13-10)15(16)17/h2-7H,1H3,(H,13,14).
What are the key properties of 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine has a molecular weight of 262.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 121006270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).