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

C9H7ClF3NO2 — CID 133097693

IUPACmethyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nccc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c1-16-7(15)4-6-8(9(11,12)13)5(10)2-3-14-6/h2-3H,4H2,1H3
InChIKeyFBHKTMJHMHZOHW-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.47
Rot. Bonds2

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

methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 133097693) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID133097693
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Namemethyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nccc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c1-16-7(15)4-6-8(9(11,12)13)5(10)2-3-14-6/h2-3H,4H2,1H3
InChIKeyFBHKTMJHMHZOHW-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-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688
methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
CID 171030086
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098182
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
methyl 3-[[2-chloro-3-(trifluoromethyl)-4-pyridinyl]sulfanyl]propanoate
CID 155184944
methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133091158
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate (CID 133097693) is methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nccc(Cl)c1C(F)(F)F.
What is the InChIKey of methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is FBHKTMJHMHZOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-16-7(15)4-6-8(9(11,12)13)5(10)2-3-14-6/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[4-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-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133097693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).