prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate

C10H10INO2 — CID 89117695

IUPACprop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate
SMILESC=CCOC(=O)c1ccc(CI)nc1
InChIInChI=1S/C10H10INO2/c1-2-5-14-10(13)8-3-4-9(6-11)12-7-8/h2-4,7H,1,5-6H2
InChIKeyWMPWXSJWYNHJDA-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.36
Rot. Bonds4

About prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate

prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate (PubChem CID 89117695) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate
PubChem CID89117695
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Nameprop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate
SMILESC=CCOC(=O)c1ccc(CI)nc1
InChIInChI=1S/C10H10INO2/c1-2-5-14-10(13)8-3-4-9(6-11)12-7-8/h2-4,7H,1,5-6H2
InChIKeyWMPWXSJWYNHJDA-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate (CID 89117695) is prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate is C=CCOC(=O)c1ccc(CI)nc1.
What is the InChIKey of prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate?
The InChIKey is WMPWXSJWYNHJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-2-5-14-10(13)8-3-4-9(6-11)12-7-8/h2-4,7H,1,5-6H2.
What are the key properties of prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate?
prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate has a molecular weight of 303.10 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate is sourced from PubChem (CID 89117695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).