2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride

C8H9Cl2F3N2 — CID 22637222

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
SMILES[Cl-].[NH3+]CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H
InChIKeyXZPAHUSHYKUMPU-UHFFFAOYSA-N
MW261.07 g/mol
LogP-1.46
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride (PubChem CID 22637222) has the molecular formula C8H9Cl2F3N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
PubChem CID22637222
Molecular FormulaC8H9Cl2F3N2
Molecular Weight261.07 g/mol
Exact Mass260.01
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
SMILES[Cl-].[NH3+]CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H
InChIKeyXZPAHUSHYKUMPU-UHFFFAOYSA-N
XLogP-1.46
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(cyclopropylmethyl)ethanamine
CID 134569795
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
CID 2766735
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
CID 150376040

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride (CID 22637222) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride is [Cl-].[NH3+]CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride?
The InChIKey is XZPAHUSHYKUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride has a molecular weight of 261.07 g/mol, XLogP of -1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride is sourced from PubChem (CID 22637222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).