2-chloro-3-[(4-iodophenyl)methoxy]pyridine

C12H9ClINO — CID 65476581

IUPAC2-chloro-3-[(4-iodophenyl)methoxy]pyridine
SMILESClc1ncccc1OCc1ccc(I)cc1
InChIInChI=1S/C12H9ClINO/c13-12-11(2-1-7-15-12)16-8-9-3-5-10(14)6-4-9/h1-7H,8H2
InChIKeyLNBUGEQIHTWHFA-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-3-[(4-iodophenyl)methoxy]pyridine

2-chloro-3-[(4-iodophenyl)methoxy]pyridine (PubChem CID 65476581) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-chloro-3-[(4-iodophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(4-iodophenyl)methoxy]pyridine
PubChem CID65476581
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name2-chloro-3-[(4-iodophenyl)methoxy]pyridine
SMILESClc1ncccc1OCc1ccc(I)cc1
InChIInChI=1S/C12H9ClINO/c13-12-11(2-1-7-15-12)16-8-9-3-5-10(14)6-4-9/h1-7H,8H2
InChIKeyLNBUGEQIHTWHFA-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
CID 105403621
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3467795
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
CID 115634536
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
2-chloro-3-(2-ethylsulfanylethoxy)pyridine
CID 115646957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(4-iodophenyl)methoxy]pyridine?
The IUPAC name of 2-chloro-3-[(4-iodophenyl)methoxy]pyridine (CID 65476581) is 2-chloro-3-[(4-iodophenyl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[(4-iodophenyl)methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[(4-iodophenyl)methoxy]pyridine is Clc1ncccc1OCc1ccc(I)cc1.
What is the InChIKey of 2-chloro-3-[(4-iodophenyl)methoxy]pyridine?
The InChIKey is LNBUGEQIHTWHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-12-11(2-1-7-15-12)16-8-9-3-5-10(14)6-4-9/h1-7H,8H2.
What are the key properties of 2-chloro-3-[(4-iodophenyl)methoxy]pyridine?
2-chloro-3-[(4-iodophenyl)methoxy]pyridine has a molecular weight of 345.57 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(4-iodophenyl)methoxy]pyridine is sourced from PubChem (CID 65476581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).