6-(3-iodophenoxy)-N-methylpyrazin-2-amine

C11H10IN3O — CID 80881366

IUPAC6-(3-iodophenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H10IN3O/c1-13-10-6-14-7-11(15-10)16-9-4-2-3-8(12)5-9/h2-7H,1H3,(H,13,15)
InChIKeyQADPQBAJRHVSMT-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.92
Rot. Bonds3

About 6-(3-iodophenoxy)-N-methylpyrazin-2-amine

6-(3-iodophenoxy)-N-methylpyrazin-2-amine (PubChem CID 80881366) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 6-(3-iodophenoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-iodophenoxy)-N-methylpyrazin-2-amine
PubChem CID80881366
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name6-(3-iodophenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H10IN3O/c1-13-10-6-14-7-11(15-10)16-9-4-2-3-8(12)5-9/h2-7H,1H3,(H,13,15)
InChIKeyQADPQBAJRHVSMT-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588
2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
CID 66467349
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
2-(3-iodophenoxy)pyrazine
CID 60644113
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
6-(2-bromophenoxy)-N-methylpyrazin-2-amine
CID 80860426
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
CID 80875842
6-methoxy-N-methylpyrazin-2-amine;hydrochloride
CID 162308238
N-methyl-6-phenoxypyridin-2-amine
CID 58106895
6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
CID 80859491
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine
CID 104536529

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodophenoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(3-iodophenoxy)-N-methylpyrazin-2-amine (CID 80881366) is 6-(3-iodophenoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(3-iodophenoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(3-iodophenoxy)-N-methylpyrazin-2-amine is CNc1cncc(Oc2cccc(I)c2)n1.
What is the InChIKey of 6-(3-iodophenoxy)-N-methylpyrazin-2-amine?
The InChIKey is QADPQBAJRHVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-13-10-6-14-7-11(15-10)16-9-4-2-3-8(12)5-9/h2-7H,1H3,(H,13,15).
What are the key properties of 6-(3-iodophenoxy)-N-methylpyrazin-2-amine?
6-(3-iodophenoxy)-N-methylpyrazin-2-amine has a molecular weight of 327.13 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80881366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).