4-chloro-5-iodo-2-methyl-3-phenylpyridine

C12H9ClIN — CID 167116545

IUPAC4-chloro-5-iodo-2-methyl-3-phenylpyridine
SMILESCc1ncc(I)c(Cl)c1-c1ccccc1
InChIInChI=1S/C12H9ClIN/c1-8-11(9-5-3-2-4-6-9)12(13)10(14)7-15-8/h2-7H,1H3
InChIKeyQTXQHECMHLKWBX-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.32
Rot. Bonds1

About 4-chloro-5-iodo-2-methyl-3-phenylpyridine

4-chloro-5-iodo-2-methyl-3-phenylpyridine (PubChem CID 167116545) has the molecular formula C12H9ClIN and a molecular weight of 329.57 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-methyl-3-phenylpyridine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-methyl-3-phenylpyridine
PubChem CID167116545
Molecular FormulaC12H9ClIN
Molecular Weight329.57 g/mol
Exact Mass328.95
IUPAC Name4-chloro-5-iodo-2-methyl-3-phenylpyridine
SMILESCc1ncc(I)c(Cl)c1-c1ccccc1
InChIInChI=1S/C12H9ClIN/c1-8-11(9-5-3-2-4-6-9)12(13)10(14)7-15-8/h2-7H,1H3
InChIKeyQTXQHECMHLKWBX-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.32
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-chloro-5-iodo-2-methyl-3-phenylpyridine?
The IUPAC name of 4-chloro-5-iodo-2-methyl-3-phenylpyridine (CID 167116545) is 4-chloro-5-iodo-2-methyl-3-phenylpyridine.
What is the SMILES notation for 4-chloro-5-iodo-2-methyl-3-phenylpyridine?
The canonical SMILES for 4-chloro-5-iodo-2-methyl-3-phenylpyridine is Cc1ncc(I)c(Cl)c1-c1ccccc1.
What is the InChIKey of 4-chloro-5-iodo-2-methyl-3-phenylpyridine?
The InChIKey is QTXQHECMHLKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN/c1-8-11(9-5-3-2-4-6-9)12(13)10(14)7-15-8/h2-7H,1H3.
What are the key properties of 4-chloro-5-iodo-2-methyl-3-phenylpyridine?
4-chloro-5-iodo-2-methyl-3-phenylpyridine has a molecular weight of 329.57 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-methyl-3-phenylpyridine is sourced from PubChem (CID 167116545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).