2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine

C15H15IN2O2 — CID 43262556

IUPAC2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(I)cc2)nc1OCC1CC1
InChIInChI=1S/C15H15IN2O2/c16-11-3-5-12(6-4-11)20-14-8-7-13(17)15(18-14)19-9-10-1-2-10/h3-8,10H,1-2,9,17H2
InChIKeyOBRPAZWDZZXKQN-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.85
Rot. Bonds5

About 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine

2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine (PubChem CID 43262556) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine
PubChem CID43262556
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(I)cc2)nc1OCC1CC1
InChIInChI=1S/C15H15IN2O2/c16-11-3-5-12(6-4-11)20-14-8-7-13(17)15(18-14)19-9-10-1-2-10/h3-8,10H,1-2,9,17H2
InChIKeyOBRPAZWDZZXKQN-UHFFFAOYSA-N
XLogP3.85
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine (CID 43262556) is 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine is Nc1ccc(Oc2ccc(I)cc2)nc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine?
The InChIKey is OBRPAZWDZZXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-11-3-5-12(6-4-11)20-14-8-7-13(17)15(18-14)19-9-10-1-2-10/h3-8,10H,1-2,9,17H2.
What are the key properties of 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine?
2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine has a molecular weight of 382.20 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine is sourced from PubChem (CID 43262556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).