2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine

C10H10N4O2S — CID 10220586

IUPAC2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(SCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H10N4O2S/c15-14(16)9-1-2-10(12-6-9)17-4-3-8-5-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13)
InChIKeyBGSRSMTXDSZDMZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine

2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine (PubChem CID 10220586) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine
PubChem CID10220586
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(SCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H10N4O2S/c15-14(16)9-1-2-10(12-6-9)17-4-3-8-5-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13)
InChIKeyBGSRSMTXDSZDMZ-UHFFFAOYSA-N
XLogP2.05
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.05
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 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine (CID 10220586) is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine is O=[N+]([O-])c1ccc(SCCc2cnc[nH]2)nc1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine?
The InChIKey is BGSRSMTXDSZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-14(16)9-1-2-10(12-6-9)17-4-3-8-5-11-7-13-8/h1-2,5-7H,3-4H2,(H,11,13).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine?
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine has a molecular weight of 250.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-nitropyridine is sourced from PubChem (CID 10220586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).