2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine

C9H8ClF3N2O — CID 3803727

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
SMILESCON=CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O/c1-16-15-3-2-8-7(10)4-6(5-14-8)9(11,12)13/h3-5H,2H2,1H3
InChIKeyWROAYNLEUCDNTQ-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.93
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine (PubChem CID 3803727) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
PubChem CID3803727
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
SMILESCON=CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O/c1-16-15-3-2-8-7(10)4-6(5-14-8)9(11,12)13/h3-5H,2H2,1H3
InChIKeyWROAYNLEUCDNTQ-UHFFFAOYSA-N
XLogP2.93
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
CID 63205098
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(cyclopropylmethyl)ethanamine
CID 134569795
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide
CID 163487133

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine (CID 3803727) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine is CON=CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
The InChIKey is WROAYNLEUCDNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c1-16-15-3-2-8-7(10)4-6(5-14-8)9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine has a molecular weight of 252.62 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine is sourced from PubChem (CID 3803727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).