6-(4-chloro-3-methylphenoxy)pyridin-3-amine

C12H11ClN2O — CID 2800162

IUPAC6-(4-chloro-3-methylphenoxy)pyridin-3-amine
SMILESCc1cc(Oc2ccc(N)cn2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3
InChIKeyWLGFEUQNIQLGGZ-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.42
Rot. Bonds2

About 6-(4-chloro-3-methylphenoxy)pyridin-3-amine

6-(4-chloro-3-methylphenoxy)pyridin-3-amine (PubChem CID 2800162) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenoxy)pyridin-3-amine
PubChem CID2800162
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-(4-chloro-3-methylphenoxy)pyridin-3-amine
SMILESCc1cc(Oc2ccc(N)cn2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3
InChIKeyWLGFEUQNIQLGGZ-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.42
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-methylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(4-chloro-3-methylphenoxy)pyridin-3-amine (CID 2800162) is 6-(4-chloro-3-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-3-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-chloro-3-methylphenoxy)pyridin-3-amine is Cc1cc(Oc2ccc(N)cn2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenoxy)pyridin-3-amine?
The InChIKey is WLGFEUQNIQLGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3.
What are the key properties of 6-(4-chloro-3-methylphenoxy)pyridin-3-amine?
6-(4-chloro-3-methylphenoxy)pyridin-3-amine has a molecular weight of 234.69 g/mol, XLogP of 3.42, 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-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 2800162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).