3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine

C10H11Cl3N2 — CID 63390310

IUPAC3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
SMILESClCCN(c1ncc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C10H11Cl3N2/c11-3-4-15(8-1-2-8)10-9(13)5-7(12)6-14-10/h5-6,8H,1-4H2
InChIKeyDYIIFPOVJXEEJO-UHFFFAOYSA-N
MW265.57 g/mol
LogP3.60
Rot. Bonds4

About 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine

3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine (PubChem CID 63390310) has the molecular formula C10H11Cl3N2 and a molecular weight of 265.57 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
PubChem CID63390310
Molecular FormulaC10H11Cl3N2
Molecular Weight265.57 g/mol
Exact Mass264.00
IUPAC Name3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
SMILESClCCN(c1ncc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C10H11Cl3N2/c11-3-4-15(8-1-2-8)10-9(13)5-7(12)6-14-10/h5-6,8H,1-4H2
InChIKeyDYIIFPOVJXEEJO-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine (CID 63390310) is 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine is ClCCN(c1ncc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine?
The InChIKey is DYIIFPOVJXEEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2/c11-3-4-15(8-1-2-8)10-9(13)5-7(12)6-14-10/h5-6,8H,1-4H2.
What are the key properties of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine?
3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine has a molecular weight of 265.57 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine is sourced from PubChem (CID 63390310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).