6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine

C8H8Cl4N2 — CID 141454403

IUPAC6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine
SMILESCN(C)c1nc(Cl)ccc1C(Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl4N2/c1-14(2)7-5(8(10,11)12)3-4-6(9)13-7/h3-4H,1-2H3
InChIKeyRIARHPPBHSOPIU-UHFFFAOYSA-N
MW273.98 g/mol
LogP3.63
Rot. Bonds1

About 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine

6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine (PubChem CID 141454403) has the molecular formula C8H8Cl4N2 and a molecular weight of 273.98 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine
PubChem CID141454403
Molecular FormulaC8H8Cl4N2
Molecular Weight273.98 g/mol
Exact Mass271.94
IUPAC Name6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine
SMILESCN(C)c1nc(Cl)ccc1C(Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl4N2/c1-14(2)7-5(8(10,11)12)3-4-6(9)13-7/h3-4H,1-2H3
InChIKeyRIARHPPBHSOPIU-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.98
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine (CID 141454403) is 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine is CN(C)c1nc(Cl)ccc1C(Cl)(Cl)Cl.
What is the InChIKey of 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine?
The InChIKey is RIARHPPBHSOPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4N2/c1-14(2)7-5(8(10,11)12)3-4-6(9)13-7/h3-4H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine?
6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine has a molecular weight of 273.98 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-3-(trichloromethyl)pyridin-2-amine is sourced from PubChem (CID 141454403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).