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

C8H6F2INO3 — CID 118807000

IUPAC2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)cc(I)[nH]c1=O
InChIInChI=1S/C8H6F2INO3/c9-7(10)3-1-5(11)12-8(15)4(3)2-6(13)14/h1,7H,2H2,(H,12,15)(H,13,14)
InChIKeyPODOQSRFACYYEA-UHFFFAOYSA-N
MW329.04 g/mol
LogP1.54
Rot. Bonds3

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

2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 118807000) has the molecular formula C8H6F2INO3 and a molecular weight of 329.04 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID118807000
Molecular FormulaC8H6F2INO3
Molecular Weight329.04 g/mol
Exact Mass328.94
IUPAC Name2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)cc(I)[nH]c1=O
InChIInChI=1S/C8H6F2INO3/c9-7(10)3-1-5(11)12-8(15)4(3)2-6(13)14/h1,7H,2H2,(H,12,15)(H,13,14)
InChIKeyPODOQSRFACYYEA-UHFFFAOYSA-N
XLogP1.54
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.04
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118806945
2-[6-(chloromethyl)-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118821536
2-[6-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133102694
2-[6-(chloromethyl)-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetic acid
CID 130087649
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
2-[4-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
CID 118801213
5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133102509
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
2-[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]acetic acid
CID 118835338
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555
ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093525
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid (CID 118807000) is 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c(C(F)F)cc(I)[nH]c1=O.
What is the InChIKey of 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is PODOQSRFACYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO3/c9-7(10)3-1-5(11)12-8(15)4(3)2-6(13)14/h1,7H,2H2,(H,12,15)(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 329.04 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 118807000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).