2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid

C9H9F2NO4 — CID 133103454

IUPAC2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESCOc1cc(=O)c(C(F)F)c(CC(=O)O)[nH]1
InChIInChI=1S/C9H9F2NO4/c1-16-6-3-5(13)8(9(10)11)4(12-6)2-7(14)15/h3,9H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyOKJUFUVEKZCPOK-UHFFFAOYSA-N
MW233.17 g/mol
LogP0.95
Rot. Bonds4

About 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid

2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 133103454) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID133103454
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Name2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESCOc1cc(=O)c(C(F)F)c(CC(=O)O)[nH]1
InChIInChI=1S/C9H9F2NO4/c1-16-6-3-5(13)8(9(10)11)4(12-6)2-7(14)15/h3,9H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyOKJUFUVEKZCPOK-UHFFFAOYSA-N
XLogP0.95
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
CID 130072270
4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494
2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
CID 118826395
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093223
2-[3-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-4-yl]acetic acid
CID 133103082
3-(difluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666248
2-[3-(difluoromethyl)-2-methoxy-6-nitro-4-pyridinyl]acetic acid
CID 133099947
2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid (CID 133103454) is 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid is COc1cc(=O)c(C(F)F)c(CC(=O)O)[nH]1.
What is the InChIKey of 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is OKJUFUVEKZCPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-16-6-3-5(13)8(9(10)11)4(12-6)2-7(14)15/h3,9H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid?
2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid has a molecular weight of 233.17 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 133103454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).