2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid

C8H6BrF2NO3 — CID 135363731

IUPAC2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)F)cc(Br)c1=O
InChIInChI=1S/C8H6BrF2NO3/c9-5-1-4(7(10)11)2-12(8(5)15)3-6(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeySGJAFQRPGAUQMX-UHFFFAOYSA-N
MW282.04 g/mol
LogP1.63
Rot. Bonds3

About 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid

2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 135363731) has the molecular formula C8H6BrF2NO3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID135363731
Molecular FormulaC8H6BrF2NO3
Molecular Weight282.04 g/mol
Exact Mass280.95
IUPAC Name2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)F)cc(Br)c1=O
InChIInChI=1S/C8H6BrF2NO3/c9-5-1-4(7(10)11)2-12(8(5)15)3-6(13)14/h1-2,7H,3H2,(H,13,14)
InChIKeySGJAFQRPGAUQMX-UHFFFAOYSA-N
XLogP1.63
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (CID 135363731) is 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(F)F)cc(Br)c1=O.
What is the InChIKey of 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is SGJAFQRPGAUQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO3/c9-5-1-4(7(10)11)2-12(8(5)15)3-6(13)14/h1-2,7H,3H2,(H,13,14).
What are the key properties of 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 282.04 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 135363731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).