5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine

C12H10Cl2N2O — CID 114046402

IUPAC5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
SMILESCc1ccc(Cl)cc1Oc1ncc(N)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-2-3-8(13)4-11(7)17-12-10(14)5-9(15)6-16-12/h2-6H,15H2,1H3
InChIKeyKECKVUCNBNEGIZ-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.07
Rot. Bonds2

About 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine

5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine (PubChem CID 114046402) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
PubChem CID114046402
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
SMILESCc1ccc(Cl)cc1Oc1ncc(N)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-2-3-8(13)4-11(7)17-12-10(14)5-9(15)6-16-12/h2-6H,15H2,1H3
InChIKeyKECKVUCNBNEGIZ-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine (CID 114046402) is 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine is Cc1ccc(Cl)cc1Oc1ncc(N)cc1Cl.
What is the InChIKey of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
The InChIKey is KECKVUCNBNEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-2-3-8(13)4-11(7)17-12-10(14)5-9(15)6-16-12/h2-6H,15H2,1H3.
What are the key properties of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine has a molecular weight of 269.13 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 114046402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).