6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium

C6H6ClF3N+ — CID 147904098

IUPAC6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium
SMILESFC(F)(F)C1=CCC[NH+]=C1Cl
InChIInChI=1S/C6H5ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h2H,1,3H2/p+1
InChIKeyIEVPXUPSPRSUNA-UHFFFAOYSA-O
MW184.57 g/mol
LogP0.60
Rot. Bonds

About 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium

6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium (PubChem CID 147904098) has the molecular formula C6H6ClF3N+ and a molecular weight of 184.57 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium
PubChem CID147904098
Molecular FormulaC6H6ClF3N+
Molecular Weight184.57 g/mol
Exact Mass184.01
IUPAC Name6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium
SMILESFC(F)(F)C1=CCC[NH+]=C1Cl
InChIInChI=1S/C6H5ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h2H,1,3H2/p+1
InChIKeyIEVPXUPSPRSUNA-UHFFFAOYSA-O
XLogP0.60
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.57
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-Chloro-5-(trifluoromethyl)-2,3-dihydropyridin-2-amine
CID 162616509
6-Chloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 147904099

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium?
The IUPAC name of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium (CID 147904098) is 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium is FC(F)(F)C1=CCC[NH+]=C1Cl.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium?
The InChIKey is IEVPXUPSPRSUNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h2H,1,3H2/p+1.
What are the key properties of 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium?
6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium has a molecular weight of 184.57 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 147904098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).