2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine

C24H26IN — CID 145000915

IUPAC2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine
SMILESC=C(I)c1ccc(-c2cccc(CC(C)C)c2)cc1C1C=CC=CN1C
InChIInChI=1S/C24H26IN/c1-17(2)14-19-8-7-9-20(15-19)21-11-12-22(18(3)25)23(16-21)24-10-5-6-13-26(24)4/h5-13,15-17,24H,3,14H2,1-2,4H3
InChIKeyHVLUNYJWJVPKBP-UHFFFAOYSA-N
MW455.38 g/mol
LogP7.01
Rot. Bonds5

About 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine

2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine (PubChem CID 145000915) has the molecular formula C24H26IN and a molecular weight of 455.38 g/mol. Its IUPAC name is 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine
PubChem CID145000915
Molecular FormulaC24H26IN
Molecular Weight455.38 g/mol
Exact Mass455.11
IUPAC Name2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine
SMILESC=C(I)c1ccc(-c2cccc(CC(C)C)c2)cc1C1C=CC=CN1C
InChIInChI=1S/C24H26IN/c1-17(2)14-19-8-7-9-20(15-19)21-11-12-22(18(3)25)23(16-21)24-10-5-6-13-26(24)4/h5-13,15-17,24H,3,14H2,1-2,4H3
InChIKeyHVLUNYJWJVPKBP-UHFFFAOYSA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.38
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine?
The IUPAC name of 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine (CID 145000915) is 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine.
What is the SMILES notation for 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine?
The canonical SMILES for 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine is C=C(I)c1ccc(-c2cccc(CC(C)C)c2)cc1C1C=CC=CN1C.
What is the InChIKey of 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine?
The InChIKey is HVLUNYJWJVPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26IN/c1-17(2)14-19-8-7-9-20(15-19)21-11-12-22(18(3)25)23(16-21)24-10-5-6-13-26(24)4/h5-13,15-17,24H,3,14H2,1-2,4H3.
What are the key properties of 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine?
2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine has a molecular weight of 455.38 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine is sourced from PubChem (CID 145000915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).