3,5-dichloro-N-ethylpyridin-4-amine;propane

C10H16Cl2N2 — CID 171793312

IUPAC3,5-dichloro-N-ethylpyridin-4-amine;propane
SMILESCCC.CCNc1c(Cl)cncc1Cl
InChIInChI=1S/C7H8Cl2N2.C3H8/c1-2-11-7-5(8)3-10-4-6(7)9;1-3-2/h3-4H,2H2,1H3,(H,10,11);3H2,1-2H3
InChIKeyDXBCKHPXCFLVAM-UHFFFAOYSA-N
MW235.16 g/mol
LogP4.24
Rot. Bonds2

About 3,5-dichloro-N-ethylpyridin-4-amine;propane

3,5-dichloro-N-ethylpyridin-4-amine;propane (PubChem CID 171793312) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3,5-dichloro-N-ethylpyridin-4-amine;propane.

Molecular Properties

Compound Name3,5-dichloro-N-ethylpyridin-4-amine;propane
PubChem CID171793312
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name3,5-dichloro-N-ethylpyridin-4-amine;propane
SMILESCCC.CCNc1c(Cl)cncc1Cl
InChIInChI=1S/C7H8Cl2N2.C3H8/c1-2-11-7-5(8)3-10-4-6(7)9;1-3-2/h3-4H,2H2,1H3,(H,10,11);3H2,1-2H3
InChIKeyDXBCKHPXCFLVAM-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethylpyridin-4-amine;propane?
The IUPAC name of 3,5-dichloro-N-ethylpyridin-4-amine;propane (CID 171793312) is 3,5-dichloro-N-ethylpyridin-4-amine;propane.
What is the SMILES notation for 3,5-dichloro-N-ethylpyridin-4-amine;propane?
The canonical SMILES for 3,5-dichloro-N-ethylpyridin-4-amine;propane is CCC.CCNc1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethylpyridin-4-amine;propane?
The InChIKey is DXBCKHPXCFLVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2.C3H8/c1-2-11-7-5(8)3-10-4-6(7)9;1-3-2/h3-4H,2H2,1H3,(H,10,11);3H2,1-2H3.
What are the key properties of 3,5-dichloro-N-ethylpyridin-4-amine;propane?
3,5-dichloro-N-ethylpyridin-4-amine;propane has a molecular weight of 235.16 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethylpyridin-4-amine;propane is sourced from PubChem (CID 171793312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).