4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine

C15H16IN — CID 58510520

IUPAC4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine
SMILESCc1cncc(C)c1-c1c(C)cc(I)cc1C
InChIInChI=1S/C15H16IN/c1-9-5-13(16)6-10(2)14(9)15-11(3)7-17-8-12(15)4/h5-8H,1-4H3
InChIKeyCVTLYRADQDPKNZ-UHFFFAOYSA-N
MW337.20 g/mol
LogP4.59
Rot. Bonds1

About 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine

4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine (PubChem CID 58510520) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine.

Molecular Properties

Compound Name4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine
PubChem CID58510520
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine
SMILESCc1cncc(C)c1-c1c(C)cc(I)cc1C
InChIInChI=1S/C15H16IN/c1-9-5-13(16)6-10(2)14(9)15-11(3)7-17-8-12(15)4/h5-8H,1-4H3
InChIKeyCVTLYRADQDPKNZ-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.59
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-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine?
The IUPAC name of 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine (CID 58510520) is 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine.
What is the SMILES notation for 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine?
The canonical SMILES for 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine is Cc1cncc(C)c1-c1c(C)cc(I)cc1C.
What is the InChIKey of 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine?
The InChIKey is CVTLYRADQDPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-9-5-13(16)6-10(2)14(9)15-11(3)7-17-8-12(15)4/h5-8H,1-4H3.
What are the key properties of 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine?
4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine has a molecular weight of 337.20 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-2,6-dimethylphenyl)-3,5-dimethylpyridine is sourced from PubChem (CID 58510520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).