3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine

C10H14Cl2N2O — CID 102761071

IUPAC3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
SMILESCC(C)C(C)Oc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-5(2)6(3)15-10-8(12)4-7(11)9(13)14-10/h4-6H,1-3H3,(H2,13,14)
InChIKeyAAORDDHSFCMXMI-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.39
Rot. Bonds3

About 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine

3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine (PubChem CID 102761071) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
PubChem CID102761071
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
SMILESCC(C)C(C)Oc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-5(2)6(3)15-10-8(12)4-7(11)9(13)14-10/h4-6H,1-3H3,(H2,13,14)
InChIKeyAAORDDHSFCMXMI-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine (CID 102761071) is 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine is CC(C)C(C)Oc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine?
The InChIKey is AAORDDHSFCMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-5(2)6(3)15-10-8(12)4-7(11)9(13)14-10/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine?
3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine has a molecular weight of 249.14 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine is sourced from PubChem (CID 102761071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).