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

C7H6F2INO2 — CID 130082494

IUPAC3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]c(I)cc(=O)c1C(F)F
InChIInChI=1S/C7H6F2INO2/c1-13-7-5(6(8)9)3(12)2-4(10)11-7/h2,6H,1H3,(H,11,12)
InChIKeyRSEQCOUIOFOSGE-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.93
Rot. Bonds2

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

3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one (PubChem CID 130082494) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
PubChem CID130082494
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]c(I)cc(=O)c1C(F)F
InChIInChI=1S/C7H6F2INO2/c1-13-7-5(6(8)9)3(12)2-4(10)11-7/h2,6H,1H3,(H,11,12)
InChIKeyRSEQCOUIOFOSGE-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
CID 130072270
methyl 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxylate
CID 130082897
methyl 5-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carboxylate
CID 130082917
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
2-[3-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133103454
2-(difluoromethyl)-3-iodo-6-methoxy-1H-pyridin-4-one
CID 118826395
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one (CID 130082494) is 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one is COc1[nH]c(I)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one?
The InChIKey is RSEQCOUIOFOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c1-13-7-5(6(8)9)3(12)2-4(10)11-7/h2,6H,1H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one?
3-(difluoromethyl)-6-iodo-2-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 3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130082494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).