6-butyl-3,5-dichloro-N-ethylpyridin-2-amine

C11H16Cl2N2 — CID 106659441

IUPAC6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
SMILESCCCCc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-3-5-6-10-8(12)7-9(13)11(15-10)14-4-2/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyXCOIYYBRHSBNIM-UHFFFAOYSA-N
MW247.17 g/mol
LogP4.16
Rot. Bonds5

About 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine

6-butyl-3,5-dichloro-N-ethylpyridin-2-amine (PubChem CID 106659441) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
PubChem CID106659441
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
SMILESCCCCc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-3-5-6-10-8(12)7-9(13)11(15-10)14-4-2/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyXCOIYYBRHSBNIM-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine?
The IUPAC name of 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine (CID 106659441) is 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine?
The canonical SMILES for 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine is CCCCc1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine?
The InChIKey is XCOIYYBRHSBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-3-5-6-10-8(12)7-9(13)11(15-10)14-4-2/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine?
6-butyl-3,5-dichloro-N-ethylpyridin-2-amine has a molecular weight of 247.17 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,5-dichloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 106659441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).