5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C11H13Cl2F3N2 — CID 55009039

IUPAC5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C11H13Cl2F3N2/c1-2-5-18(7-11(14,15)16)10-4-3-8(13)9(6-12)17-10/h3-4H,2,5-7H2,1H3
InChIKeyHWLAINTWCIWGMC-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 55009039) has the molecular formula C11H13Cl2F3N2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID55009039
Molecular FormulaC11H13Cl2F3N2
Molecular Weight301.14 g/mol
Exact Mass300.04
IUPAC Name5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C11H13Cl2F3N2/c1-2-5-18(7-11(14,15)16)10-4-3-8(13)9(6-12)17-10/h3-4H,2,5-7H2,1H3
InChIKeyHWLAINTWCIWGMC-UHFFFAOYSA-N
XLogP4.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.25
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 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 55009039) is 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCCN(CC(F)(F)F)c1ccc(Cl)c(CCl)n1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is HWLAINTWCIWGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F3N2/c1-2-5-18(7-11(14,15)16)10-4-3-8(13)9(6-12)17-10/h3-4H,2,5-7H2,1H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 301.14 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 55009039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).