3-tert-butyl-2-chloro-4-iodopyridine

C9H11ClIN — CID 170927474

IUPAC3-tert-butyl-2-chloro-4-iodopyridine
SMILESCC(C)(C)c1c(I)ccnc1Cl
InChIInChI=1S/C9H11ClIN/c1-9(2,3)7-6(11)4-5-12-8(7)10/h4-5H,1-3H3
InChIKeyUDQCEOQTWDKBLR-UHFFFAOYSA-N
MW295.55 g/mol
LogP3.64
Rot. Bonds

About 3-tert-butyl-2-chloro-4-iodopyridine

3-tert-butyl-2-chloro-4-iodopyridine (PubChem CID 170927474) has the molecular formula C9H11ClIN and a molecular weight of 295.55 g/mol. Its IUPAC name is 3-tert-butyl-2-chloro-4-iodopyridine.

Molecular Properties

Compound Name3-tert-butyl-2-chloro-4-iodopyridine
PubChem CID170927474
Molecular FormulaC9H11ClIN
Molecular Weight295.55 g/mol
Exact Mass294.96
IUPAC Name3-tert-butyl-2-chloro-4-iodopyridine
SMILESCC(C)(C)c1c(I)ccnc1Cl
InChIInChI=1S/C9H11ClIN/c1-9(2,3)7-6(11)4-5-12-8(7)10/h4-5H,1-3H3
InChIKeyUDQCEOQTWDKBLR-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 53.64
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 3-tert-butyl-2-chloro-4-iodopyridine?
The IUPAC name of 3-tert-butyl-2-chloro-4-iodopyridine (CID 170927474) is 3-tert-butyl-2-chloro-4-iodopyridine.
What is the SMILES notation for 3-tert-butyl-2-chloro-4-iodopyridine?
The canonical SMILES for 3-tert-butyl-2-chloro-4-iodopyridine is CC(C)(C)c1c(I)ccnc1Cl.
What is the InChIKey of 3-tert-butyl-2-chloro-4-iodopyridine?
The InChIKey is UDQCEOQTWDKBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN/c1-9(2,3)7-6(11)4-5-12-8(7)10/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-2-chloro-4-iodopyridine?
3-tert-butyl-2-chloro-4-iodopyridine has a molecular weight of 295.55 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-chloro-4-iodopyridine is sourced from PubChem (CID 170927474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).