2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one

C7H6F2INO2 — CID 118826395

IUPAC2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
SMILESCOc1cc(=O)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F2INO2/c1-13-4-2-3(12)5(10)6(11-4)7(8)9/h2,7H,1H3,(H,11,12)
InChIKeyVJPUIJOOWPUASC-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.93
Rot. Bonds2

About 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one

2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one (PubChem CID 118826395) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
PubChem CID118826395
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
SMILESCOc1cc(=O)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F2INO2/c1-13-4-2-3(12)5(10)6(11-4)7(8)9/h2,7H,1H3,(H,11,12)
InChIKeyVJPUIJOOWPUASC-UHFFFAOYSA-N
XLogP1.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133103454
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494
methyl 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxylate
CID 130082897
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
CID 118837451

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one (CID 118826395) is 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one is COc1cc(=O)c(I)c(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one?
The InChIKey is VJPUIJOOWPUASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c1-13-4-2-3(12)5(10)6(11-4)7(8)9/h2,7H,1H3,(H,11,12).
What are the key properties of 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one?
2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one has a molecular weight of 301.03 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 118826395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).