methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate

C9H7BrClF2NO2 — CID 171029542

IUPACmethyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Cl)cnc(C(F)F)c1Br
InChIInChI=1S/C9H7BrClF2NO2/c1-16-6(15)2-4-5(11)3-14-8(7(4)10)9(12)13/h3,9H,2H2,1H3
InChIKeyYORHTWFATRZVAH-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate

methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate (PubChem CID 171029542) has the molecular formula C9H7BrClF2NO2 and a molecular weight of 314.51 g/mol. Its IUPAC name is methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
PubChem CID171029542
Molecular FormulaC9H7BrClF2NO2
Molecular Weight314.51 g/mol
Exact Mass312.93
IUPAC Namemethyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Cl)cnc(C(F)F)c1Br
InChIInChI=1S/C9H7BrClF2NO2/c1-16-6(15)2-4-5(11)3-14-8(7(4)10)9(12)13/h3,9H,2H2,1H3
InChIKeyYORHTWFATRZVAH-UHFFFAOYSA-N
XLogP3.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127
methyl 2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134685348
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110
methyl 2-[4-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674686
methyl 2-[5-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134684094
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133093498
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
methyl 2-[5-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686064
ethyl 2-[3-(bromomethyl)-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134686476
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate (CID 171029542) is methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate is COC(=O)Cc1c(Cl)cnc(C(F)F)c1Br.
What is the InChIKey of methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate?
The InChIKey is YORHTWFATRZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF2NO2/c1-16-6(15)2-4-5(11)3-14-8(7(4)10)9(12)13/h3,9H,2H2,1H3.
What are the key properties of methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate?
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate has a molecular weight of 314.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 171029542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).