4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine

C21H20N2O2S — CID 70035726

IUPAC4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-c2ccc(-c3cnccc3C3CCCCC3)s2)c1
InChIInChI=1S/C21H20N2O2S/c24-23(25)17-8-4-7-16(13-17)20-9-10-21(26-20)19-14-22-12-11-18(19)15-5-2-1-3-6-15/h4,7-15H,1-3,5-6H2
InChIKeyYAEWLAMFGSIRGM-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.43
Rot. Bonds4

About 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine

4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine (PubChem CID 70035726) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine
PubChem CID70035726
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-c2ccc(-c3cnccc3C3CCCCC3)s2)c1
InChIInChI=1S/C21H20N2O2S/c24-23(25)17-8-4-7-16(13-17)20-9-10-21(26-20)19-14-22-12-11-18(19)15-5-2-1-3-6-15/h4,7-15H,1-3,5-6H2
InChIKeyYAEWLAMFGSIRGM-UHFFFAOYSA-N
XLogP6.43
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine?
The IUPAC name of 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine (CID 70035726) is 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine?
The canonical SMILES for 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine is O=[N+]([O-])c1cccc(-c2ccc(-c3cnccc3C3CCCCC3)s2)c1.
What is the InChIKey of 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine?
The InChIKey is YAEWLAMFGSIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-23(25)17-8-4-7-16(13-17)20-9-10-21(26-20)19-14-22-12-11-18(19)15-5-2-1-3-6-15/h4,7-15H,1-3,5-6H2.
What are the key properties of 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine?
4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine has a molecular weight of 364.47 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-[5-(3-nitrophenyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 70035726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).