5-[(E)-2-iodoethenyl]-2-methylpyridine

C8H8IN — CID 88570744

IUPAC5-[(E)-2-iodoethenyl]-2-methylpyridine
SMILESCc1ccc(/C=C/I)cn1
InChIInChI=1S/C8H8IN/c1-7-2-3-8(4-5-9)6-10-7/h2-6H,1H3/b5-4+
InChIKeyDFKODSQOCUCDPG-SNAWJCMRSA-N
MW245.06 g/mol
LogP2.80
Rot. Bonds1

About 5-[(E)-2-iodoethenyl]-2-methylpyridine

5-[(E)-2-iodoethenyl]-2-methylpyridine (PubChem CID 88570744) has the molecular formula C8H8IN and a molecular weight of 245.06 g/mol. Its IUPAC name is 5-[(E)-2-iodoethenyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(E)-2-iodoethenyl]-2-methylpyridine
PubChem CID88570744
Molecular FormulaC8H8IN
Molecular Weight245.06 g/mol
Exact Mass244.97
IUPAC Name5-[(E)-2-iodoethenyl]-2-methylpyridine
SMILESCc1ccc(/C=C/I)cn1
InChIInChI=1S/C8H8IN/c1-7-2-3-8(4-5-9)6-10-7/h2-6H,1H3/b5-4+
InChIKeyDFKODSQOCUCDPG-SNAWJCMRSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(E)-2-phenylethenyl]pyridine
CID 11095539
(E)-3-(6-methyl-3-pyridinyl)prop-2-enenitrile
CID 104823202
5-ethenyl-2-methylpyridine
CID 8817
5-(4-bromobut-1-enyl)-2-methylpyridine
CID 79603355
(Z)-N-ethyl-2-(6-methyl-3-pyridinyl)ethenamine
CID 20836216
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
2-methyl-5-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 6011457
dimethyl 2-[(6-methyl-3-pyridinyl)methylidene]propanedioate
CID 138963152
tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
CID 123401637
3-acetyloxypropyl (E)-5-(6-methyl-3-pyridinyl)pent-4-enoate
CID 142208801
2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
CID 104823667
1-iodo-4-[(E)-2-iodoethenyl]benzene
CID 89017176

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-iodoethenyl]-2-methylpyridine?
The IUPAC name of 5-[(E)-2-iodoethenyl]-2-methylpyridine (CID 88570744) is 5-[(E)-2-iodoethenyl]-2-methylpyridine.
What is the SMILES notation for 5-[(E)-2-iodoethenyl]-2-methylpyridine?
The canonical SMILES for 5-[(E)-2-iodoethenyl]-2-methylpyridine is Cc1ccc(/C=C/I)cn1.
What is the InChIKey of 5-[(E)-2-iodoethenyl]-2-methylpyridine?
The InChIKey is DFKODSQOCUCDPG-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H8IN/c1-7-2-3-8(4-5-9)6-10-7/h2-6H,1H3/b5-4+.
What are the key properties of 5-[(E)-2-iodoethenyl]-2-methylpyridine?
5-[(E)-2-iodoethenyl]-2-methylpyridine has a molecular weight of 245.06 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-iodoethenyl]-2-methylpyridine is sourced from PubChem (CID 88570744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).