5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine

C11H14IN — CID 137409493

IUPAC5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine
SMILESCc1cc(C(C)I)ncc1C1CC1
InChIInChI=1S/C11H14IN/c1-7-5-11(8(2)12)13-6-10(7)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyGNRPBLPDNUORGW-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.76
Rot. Bonds2

About 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine

5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine (PubChem CID 137409493) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine
PubChem CID137409493
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine
SMILESCc1cc(C(C)I)ncc1C1CC1
InChIInChI=1S/C11H14IN/c1-7-5-11(8(2)12)13-6-10(7)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyGNRPBLPDNUORGW-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine?
The IUPAC name of 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine (CID 137409493) is 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine.
What is the SMILES notation for 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine?
The canonical SMILES for 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine is Cc1cc(C(C)I)ncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine?
The InChIKey is GNRPBLPDNUORGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c1-7-5-11(8(2)12)13-6-10(7)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine?
5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine has a molecular weight of 287.14 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(1-iodoethyl)-4-methylpyridine is sourced from PubChem (CID 137409493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).