methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate

C9H7Br2F2NO2 — CID 134673471

IUPACmethyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C(F)F)c(Br)c1Br
InChIInChI=1S/C9H7Br2F2NO2/c1-16-5(15)2-4-3-14-8(9(12)13)7(11)6(4)10/h3,9H,2H2,1H3
InChIKeySCSUOTZLDUIUOE-UHFFFAOYSA-N
MW358.96 g/mol
LogP3.26
Rot. Bonds3

About methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134673471) has the molecular formula C9H7Br2F2NO2 and a molecular weight of 358.96 g/mol. Its IUPAC name is methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134673471
Molecular FormulaC9H7Br2F2NO2
Molecular Weight358.96 g/mol
Exact Mass356.88
IUPAC Namemethyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(C(F)F)c(Br)c1Br
InChIInChI=1S/C9H7Br2F2NO2/c1-16-5(15)2-4-3-14-8(9(12)13)7(11)6(4)10/h3,9H,2H2,1H3
InChIKeySCSUOTZLDUIUOE-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.96
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674686
methyl 2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134685348
methyl 2-[5-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686064
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-[4-bromo-5-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134675395
methyl 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133103864
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118805918
methyl 2-[6-bromo-4-chloro-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134673608
methyl 2-[4-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686507

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate (CID 134673471) is methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cnc(C(F)F)c(Br)c1Br.
What is the InChIKey of methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is SCSUOTZLDUIUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F2NO2/c1-16-5(15)2-4-3-14-8(9(12)13)7(11)6(4)10/h3,9H,2H2,1H3.
What are the key properties of methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 358.96 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).