ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate

C10H10F2INO3 — CID 133102155

IUPACethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(I)nc(OC)c1C(F)F
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)5-4-6(13)14-9(16-2)7(5)8(11)12/h4,8H,3H2,1-2H3
InChIKeyAVJNLPZCVIUZRJ-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.81
Rot. Bonds4

About ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate

ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate (PubChem CID 133102155) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
PubChem CID133102155
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Nameethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(I)nc(OC)c1C(F)F
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)5-4-6(13)14-9(16-2)7(5)8(11)12/h4,8H,3H2,1-2H3
InChIKeyAVJNLPZCVIUZRJ-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl 3-(difluoromethyl)-2-methoxy-6-nitropyridine-4-carboxylate
CID 133099289
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 3-(difluoromethyl)-2-iodo-6-methoxypyridine-4-carboxylate
CID 133101862
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate (CID 133102155) is ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate is CCOC(=O)c1cc(I)nc(OC)c1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate?
The InChIKey is AVJNLPZCVIUZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-3-17-10(15)5-4-6(13)14-9(16-2)7(5)8(11)12/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate?
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate has a molecular weight of 357.09 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 133102155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).