6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine

C13H13ClN2O — CID 2798075

IUPAC6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine
SMILESCc1cc(Oc2ccc(N)cn2)cc(C)c1Cl
InChIInChI=1S/C13H13ClN2O/c1-8-5-11(6-9(2)13(8)14)17-12-4-3-10(15)7-16-12/h3-7H,15H2,1-2H3
InChIKeyPALZTNXUZXQEFE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.73
Rot. Bonds2

About 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine

6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine (PubChem CID 2798075) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine
PubChem CID2798075
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine
SMILESCc1cc(Oc2ccc(N)cn2)cc(C)c1Cl
InChIInChI=1S/C13H13ClN2O/c1-8-5-11(6-9(2)13(8)14)17-12-4-3-10(15)7-16-12/h3-7H,15H2,1-2H3
InChIKeyPALZTNXUZXQEFE-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine (CID 2798075) is 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine is Cc1cc(Oc2ccc(N)cn2)cc(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine?
The InChIKey is PALZTNXUZXQEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-5-11(6-9(2)13(8)14)17-12-4-3-10(15)7-16-12/h3-7H,15H2,1-2H3.
What are the key properties of 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine?
6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine has a molecular weight of 248.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine is sourced from PubChem (CID 2798075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).