[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate

C15H11ClF3NO2 — CID 151692476

IUPAC[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11ClF3NO2/c1-9(21)22-8-10-6-13(20-14(16)7-10)11-2-4-12(5-3-11)15(17,18)19/h2-7H,8H2,1H3
InChIKeyRCWCYJIJXVSDOT-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.48
Rot. Bonds3

About [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate

[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate (PubChem CID 151692476) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate
PubChem CID151692476
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11ClF3NO2/c1-9(21)22-8-10-6-13(20-14(16)7-10)11-2-4-12(5-3-11)15(17,18)19/h2-7H,8H2,1H3
InChIKeyRCWCYJIJXVSDOT-UHFFFAOYSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl acetate
CID 150657328
[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl acetate
CID 136964694
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
CID 97136587
2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468630
4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677423
[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 90390025
benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate
CID 156694299
methyl 2-[2-[N-(3-methylbutyl)-4-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetate
CID 87301078
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate?
The IUPAC name of [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate (CID 151692476) is [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate.
What is the SMILES notation for [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate?
The canonical SMILES for [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate is CC(=O)OCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate?
The InChIKey is RCWCYJIJXVSDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-9(21)22-8-10-6-13(20-14(16)7-10)11-2-4-12(5-3-11)15(17,18)19/h2-7H,8H2,1H3.
What are the key properties of [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate?
[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate has a molecular weight of 329.71 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate is sourced from PubChem (CID 151692476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).