6-(4-chlorophenoxy)-2-methylpyridin-3-amine

C12H11ClN2O — CID 79022188

IUPAC6-(4-chlorophenoxy)-2-methylpyridin-3-amine
SMILESCc1nc(Oc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C12H11ClN2O/c1-8-11(14)6-7-12(15-8)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3
InChIKeyWZXFQKSKULSJRC-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.42
Rot. Bonds2

About 6-(4-chlorophenoxy)-2-methylpyridin-3-amine

6-(4-chlorophenoxy)-2-methylpyridin-3-amine (PubChem CID 79022188) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-methylpyridin-3-amine
PubChem CID79022188
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-(4-chlorophenoxy)-2-methylpyridin-3-amine
SMILESCc1nc(Oc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C12H11ClN2O/c1-8-11(14)6-7-12(15-8)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3
InChIKeyWZXFQKSKULSJRC-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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-methylpyridin-3-amine?
The IUPAC name of 6-(4-chlorophenoxy)-2-methylpyridin-3-amine (CID 79022188) is 6-(4-chlorophenoxy)-2-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-methylpyridin-3-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-2-methylpyridin-3-amine is Cc1nc(Oc2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 6-(4-chlorophenoxy)-2-methylpyridin-3-amine?
The InChIKey is WZXFQKSKULSJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-11(14)6-7-12(15-8)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3.
What are the key properties of 6-(4-chlorophenoxy)-2-methylpyridin-3-amine?
6-(4-chlorophenoxy)-2-methylpyridin-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-chlorophenoxy)-2-methylpyridin-3-amine is sourced from PubChem (CID 79022188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).