4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine

C10H10N4O2 — CID 89069885

IUPAC4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine
SMILESCOc1ccnc(-n2cnc(C)c2)c1N=O
InChIInChI=1S/C10H10N4O2/c1-7-5-14(6-12-7)10-9(13-15)8(16-2)3-4-11-10/h3-6H,1-2H3
InChIKeyGAUBJOCMZPSWKU-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.98
Rot. Bonds3

About 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine

4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine (PubChem CID 89069885) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine.

Molecular Properties

Compound Name4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine
PubChem CID89069885
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine
SMILESCOc1ccnc(-n2cnc(C)c2)c1N=O
InChIInChI=1S/C10H10N4O2/c1-7-5-14(6-12-7)10-9(13-15)8(16-2)3-4-11-10/h3-6H,1-2H3
InChIKeyGAUBJOCMZPSWKU-UHFFFAOYSA-N
XLogP1.98
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine?
The IUPAC name of 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine (CID 89069885) is 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine.
What is the SMILES notation for 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine?
The canonical SMILES for 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine is COc1ccnc(-n2cnc(C)c2)c1N=O.
What is the InChIKey of 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine?
The InChIKey is GAUBJOCMZPSWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-5-14(6-12-7)10-9(13-15)8(16-2)3-4-11-10/h3-6H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine?
4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine has a molecular weight of 218.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylimidazol-1-yl)-3-nitrosopyridine is sourced from PubChem (CID 89069885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).