ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate

C9H8F2INO3 — CID 133103721

IUPACethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)cc(C(F)F)c1I
InChIInChI=1S/C9H8F2INO3/c1-2-16-9(15)7-6(12)4(8(10)11)3-5(14)13-7/h3,8H,2H2,1H3,(H,13,14)
InChIKeyHBZPCTMWHDATCG-UHFFFAOYSA-N
MW343.07 g/mol
LogP2.09
Rot. Bonds3

About ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate

ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 133103721) has the molecular formula C9H8F2INO3 and a molecular weight of 343.07 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
PubChem CID133103721
Molecular FormulaC9H8F2INO3
Molecular Weight343.07 g/mol
Exact Mass342.95
IUPAC Nameethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)cc(C(F)F)c1I
InChIInChI=1S/C9H8F2INO3/c1-2-16-9(15)7-6(12)4(8(10)11)3-5(14)13-7/h3,8H,2H2,1H3,(H,13,14)
InChIKeyHBZPCTMWHDATCG-UHFFFAOYSA-N
XLogP2.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyano-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 134673857
ethyl 3-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carboxylate
CID 133102469
ethyl 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133093415
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridine-4-carboxylate
CID 133103615
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
CID 133103526
ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
CID 133101387
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
CID 46311365
methyl 3-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130084964

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate (CID 133103721) is ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate is CCOC(=O)c1[nH]c(=O)cc(C(F)F)c1I.
What is the InChIKey of ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is HBZPCTMWHDATCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO3/c1-2-16-9(15)7-6(12)4(8(10)11)3-5(14)13-7/h3,8H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 343.07 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 133103721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).