methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate

C9H7ClF3NO2 — CID 133097692

IUPACmethyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-16-8(15)2-5-4-14-7(3-6(5)10)9(11,12)13/h3-4H,2H2,1H3
InChIKeyUEDGMOBILZOPKH-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.47
Rot. Bonds2

About methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate

methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133097692) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133097692
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Namemethyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-16-8(15)2-5-4-14-7(3-6(5)10)9(11,12)13/h3-4H,2H2,1H3
InChIKeyUEDGMOBILZOPKH-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097179
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097693
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
ethyl 2-[4-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096696
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118827482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate (CID 133097692) is methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cnc(C(F)(F)F)cc1Cl.
What is the InChIKey of methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is UEDGMOBILZOPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-16-8(15)2-5-4-14-7(3-6(5)10)9(11,12)13/h3-4H,2H2,1H3.
What are the key properties of methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate?
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 253.61 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133097692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).