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

C9H7ClF3NO2 — CID 133097688

IUPACmethyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c1-16-8(15)4-6-5(9(11,12)13)2-3-7(10)14-6/h2-3H,4H2,1H3
InChIKeyQEWFHWHIVGECJU-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.47
Rot. Bonds2

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

methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 133097688) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID133097688
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Namemethyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c1-16-8(15)4-6-5(9(11,12)13)2-3-7(10)14-6/h2-3H,4H2,1H3
InChIKeyQEWFHWHIVGECJU-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

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030057
ethyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 159823344
methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
CID 170995993
methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097693
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038
methyl 2-[6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100114
ethyl 2-[6-bromo-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097922
methyl 2-[3-amino-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134677475
methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097358
methyl 2-[3-(difluoromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029249
methyl 2-[3-iodo-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134638465
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate (CID 133097688) is methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is QEWFHWHIVGECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-16-8(15)4-6-5(9(11,12)13)2-3-7(10)14-6/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-chloro-3-(trifluoromethyl)-2-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-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133097688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).