3-iodo-2,4-bis(phenylmethoxy)pyridine

C19H16INO2 — CID 166168867

IUPAC3-iodo-2,4-bis(phenylmethoxy)pyridine
SMILESIc1c(OCc2ccccc2)ccnc1OCc1ccccc1
InChIInChI=1S/C19H16INO2/c20-18-17(22-13-15-7-3-1-4-8-15)11-12-21-19(18)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyDELCCQKSLQFQFJ-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.84
Rot. Bonds6

About 3-iodo-2,4-bis(phenylmethoxy)pyridine

3-iodo-2,4-bis(phenylmethoxy)pyridine (PubChem CID 166168867) has the molecular formula C19H16INO2 and a molecular weight of 417.25 g/mol. Its IUPAC name is 3-iodo-2,4-bis(phenylmethoxy)pyridine.

Molecular Properties

Compound Name3-iodo-2,4-bis(phenylmethoxy)pyridine
PubChem CID166168867
Molecular FormulaC19H16INO2
Molecular Weight417.25 g/mol
Exact Mass417.02
IUPAC Name3-iodo-2,4-bis(phenylmethoxy)pyridine
SMILESIc1c(OCc2ccccc2)ccnc1OCc1ccccc1
InChIInChI=1S/C19H16INO2/c20-18-17(22-13-15-7-3-1-4-8-15)11-12-21-19(18)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyDELCCQKSLQFQFJ-UHFFFAOYSA-N
XLogP4.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-2-phenylmethoxypyridin-4-amine
CID 127263634
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
4-phenylmethoxyquinoline
CID 11299312
3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 71302995
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363670
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
4-iodo-5-phenylmethoxybenzene-1,3-diol
CID 71339742
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,4-bis(phenylmethoxy)pyridine?
The IUPAC name of 3-iodo-2,4-bis(phenylmethoxy)pyridine (CID 166168867) is 3-iodo-2,4-bis(phenylmethoxy)pyridine.
What is the SMILES notation for 3-iodo-2,4-bis(phenylmethoxy)pyridine?
The canonical SMILES for 3-iodo-2,4-bis(phenylmethoxy)pyridine is Ic1c(OCc2ccccc2)ccnc1OCc1ccccc1.
What is the InChIKey of 3-iodo-2,4-bis(phenylmethoxy)pyridine?
The InChIKey is DELCCQKSLQFQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16INO2/c20-18-17(22-13-15-7-3-1-4-8-15)11-12-21-19(18)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 3-iodo-2,4-bis(phenylmethoxy)pyridine?
3-iodo-2,4-bis(phenylmethoxy)pyridine has a molecular weight of 417.25 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,4-bis(phenylmethoxy)pyridine is sourced from PubChem (CID 166168867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).