N-ethyl-5-(3-iodophenoxy)pyridin-3-amine

C13H13IN2O — CID 104536529

IUPACN-ethyl-5-(3-iodophenoxy)pyridin-3-amine
SMILESCCNc1cncc(Oc2cccc(I)c2)c1
InChIInChI=1S/C13H13IN2O/c1-2-16-11-7-13(9-15-8-11)17-12-5-3-4-10(14)6-12/h3-9,16H,2H2,1H3
InChIKeyYGKJYHONUJLCIA-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.91
Rot. Bonds4

About N-ethyl-5-(3-iodophenoxy)pyridin-3-amine

N-ethyl-5-(3-iodophenoxy)pyridin-3-amine (PubChem CID 104536529) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is N-ethyl-5-(3-iodophenoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-iodophenoxy)pyridin-3-amine
PubChem CID104536529
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC NameN-ethyl-5-(3-iodophenoxy)pyridin-3-amine
SMILESCCNc1cncc(Oc2cccc(I)c2)c1
InChIInChI=1S/C13H13IN2O/c1-2-16-11-7-13(9-15-8-11)17-12-5-3-4-10(14)6-12/h3-9,16H,2H2,1H3
InChIKeyYGKJYHONUJLCIA-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566
N-ethyl-5-(4-methylphenoxy)pyridin-3-amine
CID 104536266
5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174
N-ethyl-5-quinolin-3-yloxypyridin-3-amine
CID 107388436
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
N-ethyl-5-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 104536367
[2-[[5-(ethylamino)-3-pyridinyl]oxy]phenyl]methanol
CID 113424392
N-ethyl-5-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 113424390
N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
CID 104536313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-iodophenoxy)pyridin-3-amine?
The IUPAC name of N-ethyl-5-(3-iodophenoxy)pyridin-3-amine (CID 104536529) is N-ethyl-5-(3-iodophenoxy)pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-(3-iodophenoxy)pyridin-3-amine?
The canonical SMILES for N-ethyl-5-(3-iodophenoxy)pyridin-3-amine is CCNc1cncc(Oc2cccc(I)c2)c1.
What is the InChIKey of N-ethyl-5-(3-iodophenoxy)pyridin-3-amine?
The InChIKey is YGKJYHONUJLCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c1-2-16-11-7-13(9-15-8-11)17-12-5-3-4-10(14)6-12/h3-9,16H,2H2,1H3.
What are the key properties of N-ethyl-5-(3-iodophenoxy)pyridin-3-amine?
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine has a molecular weight of 340.16 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-iodophenoxy)pyridin-3-amine is sourced from PubChem (CID 104536529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).