6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine

C6H6ClF3N2 — CID 162616509

IUPAC6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine
SMILESNC1CC=C(C(F)(F)F)C(Cl)=N1
InChIInChI=1S/C6H6ClF3N2/c7-5-3(6(8,9)10)1-2-4(11)12-5/h1,4H,2,11H2
InChIKeyYBNACMQYDLMTDL-UHFFFAOYSA-N
MW198.58 g/mol
LogP1.80
Rot. Bonds

About 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine

6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine (PubChem CID 162616509) has the molecular formula C6H6ClF3N2 and a molecular weight of 198.58 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine
PubChem CID162616509
Molecular FormulaC6H6ClF3N2
Molecular Weight198.58 g/mol
Exact Mass198.02
IUPAC Name6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine
SMILESNC1CC=C(C(F)(F)F)C(Cl)=N1
InChIInChI=1S/C6H6ClF3N2/c7-5-3(6(8,9)10)1-2-4(11)12-5/h1,4H,2,11H2
InChIKeyYBNACMQYDLMTDL-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
The IUPAC name of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine (CID 162616509) is 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine is NC1CC=C(C(F)(F)F)C(Cl)=N1.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
The InChIKey is YBNACMQYDLMTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2/c7-5-3(6(8,9)10)1-2-4(11)12-5/h1,4H,2,11H2.
What are the key properties of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine?
6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine has a molecular weight of 198.58 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 162616509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).