N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine

C10H12ClF3N2 — CID 63392079

IUPACN-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CCCl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12ClF3N2/c1-2-16(6-5-11)9-4-3-8(7-15-9)10(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyWTYQSRFMAQMDSJ-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.17
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine

N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63392079) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63392079
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC NameN-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CCCl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H12ClF3N2/c1-2-16(6-5-11)9-4-3-8(7-15-9)10(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyWTYQSRFMAQMDSJ-UHFFFAOYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.17
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 N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine (CID 63392079) is N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine is CCN(CCCl)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WTYQSRFMAQMDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-2-16(6-5-11)9-4-3-8(7-15-9)10(12,13)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 252.67 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63392079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).