1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate

C10H9ClF3NO2 — CID 174486248

IUPAC1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)c1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-5(17-6(2)16)9-7(10(12,13)14)3-4-8(11)15-9/h3-5H,1-2H3
InChIKeyUFZXRVQYVQEURL-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.38
Rot. Bonds2

About 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate

1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate (PubChem CID 174486248) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate.

Molecular Properties

Compound Name1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate
PubChem CID174486248
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)c1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-5(17-6(2)16)9-7(10(12,13)14)3-4-8(11)15-9/h3-5H,1-2H3
InChIKeyUFZXRVQYVQEURL-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
The IUPAC name of 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate (CID 174486248) is 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate.
What is the SMILES notation for 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
The canonical SMILES for 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate is CC(=O)OC(C)c1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
The InChIKey is UFZXRVQYVQEURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-5(17-6(2)16)9-7(10(12,13)14)3-4-8(11)15-9/h3-5H,1-2H3.
What are the key properties of 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate has a molecular weight of 267.63 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethyl acetate is sourced from PubChem (CID 174486248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).