2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine

C11H10N4O2S — CID 18142857

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(Sc2nccn2C2CC2)nc1
InChIInChI=1S/C11H10N4O2S/c16-15(17)9-3-4-10(13-7-9)18-11-12-5-6-14(11)8-1-2-8/h3-8H,1-2H2
InChIKeyZHTOEXXEQFPCBA-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.67
Rot. Bonds4

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine

2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine (PubChem CID 18142857) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine
PubChem CID18142857
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(Sc2nccn2C2CC2)nc1
InChIInChI=1S/C11H10N4O2S/c16-15(17)9-3-4-10(13-7-9)18-11-12-5-6-14(11)8-1-2-8/h3-8H,1-2H2
InChIKeyZHTOEXXEQFPCBA-UHFFFAOYSA-N
XLogP2.67
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
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

5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
CID 16605629
5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine
CID 56784867
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16618002
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
CID 15141761
5-nitro-2-piperidin-4-ylsulfanylpyridine
CID 71303792
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine
CID 18150035
1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]sulfanylimidazole
CID 154773649
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
CID 71635749
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71635748
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine (CID 18142857) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine is O=[N+]([O-])c1ccc(Sc2nccn2C2CC2)nc1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine?
The InChIKey is ZHTOEXXEQFPCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-15(17)9-3-4-10(13-7-9)18-11-12-5-6-14(11)8-1-2-8/h3-8H,1-2H2.
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine has a molecular weight of 262.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine is sourced from PubChem (CID 18142857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).