2-[(2-iodophenoxy)methyl]-3-methylpyridine

C13H12INO — CID 112549846

IUPAC2-[(2-iodophenoxy)methyl]-3-methylpyridine
SMILESCc1cccnc1COc1ccccc1I
InChIInChI=1S/C13H12INO/c1-10-5-4-8-15-12(10)9-16-13-7-3-2-6-11(13)14/h2-8H,9H2,1H3
InChIKeyGEBYXBNUHDXZEG-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.57
Rot. Bonds3

About 2-[(2-iodophenoxy)methyl]-3-methylpyridine

2-[(2-iodophenoxy)methyl]-3-methylpyridine (PubChem CID 112549846) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-[(2-iodophenoxy)methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(2-iodophenoxy)methyl]-3-methylpyridine
PubChem CID112549846
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name2-[(2-iodophenoxy)methyl]-3-methylpyridine
SMILESCc1cccnc1COc1ccccc1I
InChIInChI=1S/C13H12INO/c1-10-5-4-8-15-12(10)9-16-13-7-3-2-6-11(13)14/h2-8H,9H2,1H3
InChIKeyGEBYXBNUHDXZEG-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.57
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-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982170
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112549824
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
6-methyl-3-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-amine
CID 112649784
(NZ)-N-[1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 112650504
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenoxy)methyl]-3-methylpyridine?
The IUPAC name of 2-[(2-iodophenoxy)methyl]-3-methylpyridine (CID 112549846) is 2-[(2-iodophenoxy)methyl]-3-methylpyridine.
What is the SMILES notation for 2-[(2-iodophenoxy)methyl]-3-methylpyridine?
The canonical SMILES for 2-[(2-iodophenoxy)methyl]-3-methylpyridine is Cc1cccnc1COc1ccccc1I.
What is the InChIKey of 2-[(2-iodophenoxy)methyl]-3-methylpyridine?
The InChIKey is GEBYXBNUHDXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c1-10-5-4-8-15-12(10)9-16-13-7-3-2-6-11(13)14/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-iodophenoxy)methyl]-3-methylpyridine?
2-[(2-iodophenoxy)methyl]-3-methylpyridine has a molecular weight of 325.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenoxy)methyl]-3-methylpyridine is sourced from PubChem (CID 112549846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).