4-chloro-3-iodo-5-phenylmethoxypyridine

C12H9ClINO — CID 23642584

IUPAC4-chloro-3-iodo-5-phenylmethoxypyridine
SMILESClc1c(I)cncc1OCc1ccccc1
InChIInChI=1S/C12H9ClINO/c13-12-10(14)6-15-7-11(12)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHMNNGEKDCGEJMV-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.92
Rot. Bonds3

About 4-chloro-3-iodo-5-phenylmethoxypyridine

4-chloro-3-iodo-5-phenylmethoxypyridine (PubChem CID 23642584) has the molecular formula C12H9ClINO and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-chloro-3-iodo-5-phenylmethoxypyridine.

Molecular Properties

Compound Name4-chloro-3-iodo-5-phenylmethoxypyridine
PubChem CID23642584
Molecular FormulaC12H9ClINO
Molecular Weight345.57 g/mol
Exact Mass344.94
IUPAC Name4-chloro-3-iodo-5-phenylmethoxypyridine
SMILESClc1c(I)cncc1OCc1ccccc1
InChIInChI=1S/C12H9ClINO/c13-12-10(14)6-15-7-11(12)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHMNNGEKDCGEJMV-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
3-chloro-5-(2-phenylmethoxyphenyl)pyridin-4-amine
CID 176729997
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
2-chloro-5-[(2-iodophenoxy)methyl]pyridine
CID 43428206
3-iodo-7-phenylmethoxy-2H-indazole
CID 46835458
8-phenylmethoxyquinazoline
CID 171373765
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
1-methyl-7-phenylmethoxyfuro[3,4-c]pyridine
CID 154395409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-5-phenylmethoxypyridine?
The IUPAC name of 4-chloro-3-iodo-5-phenylmethoxypyridine (CID 23642584) is 4-chloro-3-iodo-5-phenylmethoxypyridine.
What is the SMILES notation for 4-chloro-3-iodo-5-phenylmethoxypyridine?
The canonical SMILES for 4-chloro-3-iodo-5-phenylmethoxypyridine is Clc1c(I)cncc1OCc1ccccc1.
What is the InChIKey of 4-chloro-3-iodo-5-phenylmethoxypyridine?
The InChIKey is HMNNGEKDCGEJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO/c13-12-10(14)6-15-7-11(12)16-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 4-chloro-3-iodo-5-phenylmethoxypyridine?
4-chloro-3-iodo-5-phenylmethoxypyridine 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 4-chloro-3-iodo-5-phenylmethoxypyridine is sourced from PubChem (CID 23642584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).