4-(3,3-dimethylbutan-2-yl)-3-iodopyridine

C11H16IN — CID 170214211

IUPAC4-(3,3-dimethylbutan-2-yl)-3-iodopyridine
SMILESCC(c1ccncc1I)C(C)(C)C
InChIInChI=1S/C11H16IN/c1-8(11(2,3)4)9-5-6-13-7-10(9)12/h5-8H,1-4H3
InChIKeyQEVDQZYJMHHFJI-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.84
Rot. Bonds1

About 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine

4-(3,3-dimethylbutan-2-yl)-3-iodopyridine (PubChem CID 170214211) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)-3-iodopyridine
PubChem CID170214211
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name4-(3,3-dimethylbutan-2-yl)-3-iodopyridine
SMILESCC(c1ccncc1I)C(C)(C)C
InChIInChI=1S/C11H16IN/c1-8(11(2,3)4)9-5-6-13-7-10(9)12/h5-8H,1-4H3
InChIKeyQEVDQZYJMHHFJI-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine (CID 170214211) is 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine is CC(c1ccncc1I)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine?
The InChIKey is QEVDQZYJMHHFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-8(11(2,3)4)9-5-6-13-7-10(9)12/h5-8H,1-4H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine?
4-(3,3-dimethylbutan-2-yl)-3-iodopyridine has a molecular weight of 289.16 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)-3-iodopyridine is sourced from PubChem (CID 170214211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).