4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one

C7H6F2INO2 — CID 118812764

IUPAC4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)cc(=O)[nH]c1I
InChIInChI=1S/C7H6F2INO2/c1-13-5-3(6(8)9)2-4(12)11-7(5)10/h2,6H,1H3,(H,11,12)
InChIKeyJNPFCYUQRLCWTJ-UHFFFAOYSA-N
MW301.03 g/mol
LogP1.93
Rot. Bonds2

About 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one

4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one (PubChem CID 118812764) has the molecular formula C7H6F2INO2 and a molecular weight of 301.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
PubChem CID118812764
Molecular FormulaC7H6F2INO2
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Name4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)cc(=O)[nH]c1I
InChIInChI=1S/C7H6F2INO2/c1-13-5-3(6(8)9)2-4(12)11-7(5)10/h2,6H,1H3,(H,11,12)
InChIKeyJNPFCYUQRLCWTJ-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

4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271
4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118829781
2-[4-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118823856
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one
CID 112757555
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130084940
methyl 3-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130084964
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
4-(difluoromethyl)-6-iodo-3-methoxypyridine-2-carboxylic acid
CID 118835420
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one (CID 118812764) is 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one is COc1c(C(F)F)cc(=O)[nH]c1I.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one?
The InChIKey is JNPFCYUQRLCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO2/c1-13-5-3(6(8)9)2-4(12)11-7(5)10/h2,6H,1H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one?
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-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 4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118812764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).