3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine

C9H12Cl2N2 — CID 79841040

IUPAC3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
SMILESCC(Cl)CN(C)c1ccncc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-7(10)6-13(2)9-3-4-12-5-8(9)11/h3-5,7H,6H2,1-2H3
InChIKeyGGLITJLDBSGORS-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.80
Rot. Bonds3

About 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine

3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine (PubChem CID 79841040) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
PubChem CID79841040
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
SMILESCC(Cl)CN(C)c1ccncc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-7(10)6-13(2)9-3-4-12-5-8(9)11/h3-5,7H,6H2,1-2H3
InChIKeyGGLITJLDBSGORS-UHFFFAOYSA-N
XLogP2.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.80
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-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine?
The IUPAC name of 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine (CID 79841040) is 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine is CC(Cl)CN(C)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine?
The InChIKey is GGLITJLDBSGORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-7(10)6-13(2)9-3-4-12-5-8(9)11/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine?
3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine has a molecular weight of 219.12 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 79841040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).