2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid

C8H5BrClF2NO2 — CID 130108367

IUPAC2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C8H5BrClF2NO2/c9-6-4(1-5(14)15)13-2-3(7(6)10)8(11)12/h2,8H,1H2,(H,14,15)
InChIKeyYTESAQGIZVXZIR-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds3

About 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid

2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130108367) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130108367
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Name2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C8H5BrClF2NO2/c9-6-4(1-5(14)15)13-2-3(7(6)10)8(11)12/h2,8H,1H2,(H,14,15)
InChIKeyYTESAQGIZVXZIR-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130109840
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130108367) is 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(C(F)F)c(Cl)c1Br.
What is the InChIKey of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is YTESAQGIZVXZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c9-6-4(1-5(14)15)13-2-3(7(6)10)8(11)12/h2,8H,1H2,(H,14,15).
What are the key properties of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 300.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130108367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).