3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine

C16H14N4O — CID 89046049

IUPAC3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine
SMILESCCc1[nH]c(-c2ccccc2N=O)nc1-c1cccnc1
InChIInChI=1S/C16H14N4O/c1-2-13-15(11-6-5-9-17-10-11)19-16(18-13)12-7-3-4-8-14(12)20-21/h3-10H,2H2,1H3,(H,18,19)
InChIKeyVCXLRGZPKQXUAL-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.10
Rot. Bonds4

About 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine

3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine (PubChem CID 89046049) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine
PubChem CID89046049
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine
SMILESCCc1[nH]c(-c2ccccc2N=O)nc1-c1cccnc1
InChIInChI=1S/C16H14N4O/c1-2-13-15(11-6-5-9-17-10-11)19-16(18-13)12-7-3-4-8-14(12)20-21/h3-10H,2H2,1H3,(H,18,19)
InChIKeyVCXLRGZPKQXUAL-UHFFFAOYSA-N
XLogP4.10
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine?
The IUPAC name of 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine (CID 89046049) is 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine is CCc1[nH]c(-c2ccccc2N=O)nc1-c1cccnc1.
What is the InChIKey of 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine?
The InChIKey is VCXLRGZPKQXUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-13-15(11-6-5-9-17-10-11)19-16(18-13)12-7-3-4-8-14(12)20-21/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine?
3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine has a molecular weight of 278.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-2-(2-nitrosophenyl)-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 89046049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).