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

C8H7F2NO3 — CID 122240432

IUPAC2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)F)ccc1=O
InChIInChI=1S/C8H7F2NO3/c9-8(10)5-1-2-6(12)11(3-5)4-7(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyWJNBMFUYAAFEMN-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.87
Rot. Bonds3

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

2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 122240432) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID122240432
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)F)ccc1=O
InChIInChI=1S/C8H7F2NO3/c9-8(10)5-1-2-6(12)11(3-5)4-7(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyWJNBMFUYAAFEMN-UHFFFAOYSA-N
XLogP0.87
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid
CID 2463145
2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
CID 2737090
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
1-(2,2-Difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885835
6-Oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylic acid
CID 61727409
2-(5-Fluoro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 82146597
2-[2-Oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 118301547
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
2-[3-Carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 135362591

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid (CID 122240432) is 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(F)F)ccc1=O.
What is the InChIKey of 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is WJNBMFUYAAFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-8(10)5-1-2-6(12)11(3-5)4-7(13)14/h1-3,8H,4H2,(H,13,14).
What are the key properties of 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 203.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 122240432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).