4-(4-aminophenoxy)-3-chloropyridin-2-amine

C11H10ClN3O — CID 89410344

IUPAC4-(4-aminophenoxy)-3-chloropyridin-2-amine
SMILESNc1ccc(Oc2ccnc(N)c2Cl)cc1
InChIInChI=1S/C11H10ClN3O/c12-10-9(5-6-15-11(10)14)16-8-3-1-7(13)2-4-8/h1-6H,13H2,(H2,14,15)
InChIKeyRXLJEEHZTABRMY-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.69
Rot. Bonds2

About 4-(4-aminophenoxy)-3-chloropyridin-2-amine

4-(4-aminophenoxy)-3-chloropyridin-2-amine (PubChem CID 89410344) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenoxy)-3-chloropyridin-2-amine
PubChem CID89410344
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-(4-aminophenoxy)-3-chloropyridin-2-amine
SMILESNc1ccc(Oc2ccnc(N)c2Cl)cc1
InChIInChI=1S/C11H10ClN3O/c12-10-9(5-6-15-11(10)14)16-8-3-1-7(13)2-4-8/h1-6H,13H2,(H2,14,15)
InChIKeyRXLJEEHZTABRMY-UHFFFAOYSA-N
XLogP2.69
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-ethoxypyridin-2-amine
CID 154642114
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767
4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
CID 91101107
4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine
CID 88973251
4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine
CID 88946517
4-(4-aminophenoxy)aniline
CID 161415647
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
CID 143215967
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-3-chloropyridin-2-amine?
The IUPAC name of 4-(4-aminophenoxy)-3-chloropyridin-2-amine (CID 89410344) is 4-(4-aminophenoxy)-3-chloropyridin-2-amine.
What is the SMILES notation for 4-(4-aminophenoxy)-3-chloropyridin-2-amine?
The canonical SMILES for 4-(4-aminophenoxy)-3-chloropyridin-2-amine is Nc1ccc(Oc2ccnc(N)c2Cl)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-3-chloropyridin-2-amine?
The InChIKey is RXLJEEHZTABRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-9(5-6-15-11(10)14)16-8-3-1-7(13)2-4-8/h1-6H,13H2,(H2,14,15).
What are the key properties of 4-(4-aminophenoxy)-3-chloropyridin-2-amine?
4-(4-aminophenoxy)-3-chloropyridin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-3-chloropyridin-2-amine is sourced from PubChem (CID 89410344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).