6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine

C6H6ClF3N2 — CID 162607041

IUPAC6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESNC1NC(Cl)=CC=C1C(F)(F)F
InChIInChI=1S/C6H6ClF3N2/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2,5,12H,11H2
InChIKeyYZHFPLJUCBONID-UHFFFAOYSA-N
MW198.58 g/mol
LogP1.44
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine

6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine (PubChem CID 162607041) has the molecular formula C6H6ClF3N2 and a molecular weight of 198.58 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
PubChem CID162607041
Molecular FormulaC6H6ClF3N2
Molecular Weight198.58 g/mol
Exact Mass198.02
IUPAC Name6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESNC1NC(Cl)=CC=C1C(F)(F)F
InChIInChI=1S/C6H6ClF3N2/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2,5,12H,11H2
InChIKeyYZHFPLJUCBONID-UHFFFAOYSA-N
XLogP1.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine (CID 162607041) is 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine is NC1NC(Cl)=CC=C1C(F)(F)F.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is YZHFPLJUCBONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2,5,12H,11H2.
What are the key properties of 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 198.58 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 162607041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).