2-chloro-4-iodo-5-(2-methylpropyl)pyridine

C9H11ClIN — CID 174632240

IUPAC2-chloro-4-iodo-5-(2-methylpropyl)pyridine
SMILESCC(C)Cc1cnc(Cl)cc1I
InChIInChI=1S/C9H11ClIN/c1-6(2)3-7-5-12-9(10)4-8(7)11/h4-6H,3H2,1-2H3
InChIKeyBAVITRLIKKFYEC-UHFFFAOYSA-N
MW295.55 g/mol
LogP3.54
Rot. Bonds2

About 2-chloro-4-iodo-5-(2-methylpropyl)pyridine

2-chloro-4-iodo-5-(2-methylpropyl)pyridine (PubChem CID 174632240) has the molecular formula C9H11ClIN and a molecular weight of 295.55 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-iodo-5-(2-methylpropyl)pyridine
PubChem CID174632240
Molecular FormulaC9H11ClIN
Molecular Weight295.55 g/mol
Exact Mass294.96
IUPAC Name2-chloro-4-iodo-5-(2-methylpropyl)pyridine
SMILESCC(C)Cc1cnc(Cl)cc1I
InChIInChI=1S/C9H11ClIN/c1-6(2)3-7-5-12-9(10)4-8(7)11/h4-6H,3H2,1-2H3
InChIKeyBAVITRLIKKFYEC-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-(2-methylpropyl)pyridine?
The IUPAC name of 2-chloro-4-iodo-5-(2-methylpropyl)pyridine (CID 174632240) is 2-chloro-4-iodo-5-(2-methylpropyl)pyridine.
What is the SMILES notation for 2-chloro-4-iodo-5-(2-methylpropyl)pyridine?
The canonical SMILES for 2-chloro-4-iodo-5-(2-methylpropyl)pyridine is CC(C)Cc1cnc(Cl)cc1I.
What is the InChIKey of 2-chloro-4-iodo-5-(2-methylpropyl)pyridine?
The InChIKey is BAVITRLIKKFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN/c1-6(2)3-7-5-12-9(10)4-8(7)11/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-4-iodo-5-(2-methylpropyl)pyridine?
2-chloro-4-iodo-5-(2-methylpropyl)pyridine has a molecular weight of 295.55 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-5-(2-methylpropyl)pyridine is sourced from PubChem (CID 174632240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).