ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate

C9H7ClF2INO2 — CID 134677140

IUPACethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C9H7ClF2INO2/c1-2-16-9(15)7-5(13)3-4(10)6(14-7)8(11)12/h3,8H,2H2,1H3
InChIKeyXQNCJAPSCKXKEZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.45
Rot. Bonds3

About ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate

ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate (PubChem CID 134677140) has the molecular formula C9H7ClF2INO2 and a molecular weight of 361.51 g/mol. Its IUPAC name is ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
PubChem CID134677140
Molecular FormulaC9H7ClF2INO2
Molecular Weight361.51 g/mol
Exact Mass360.92
IUPAC Nameethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C9H7ClF2INO2/c1-2-16-9(15)7-5(13)3-4(10)6(14-7)8(11)12/h3,8H,2H2,1H3
InChIKeyXQNCJAPSCKXKEZ-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
ethyl 3-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100576
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 3-bromo-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685236
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
CID 133106006

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate (CID 134677140) is ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)c(Cl)cc1I.
What is the InChIKey of ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The InChIKey is XQNCJAPSCKXKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2INO2/c1-2-16-9(15)7-5(13)3-4(10)6(14-7)8(11)12/h3,8H,2H2,1H3.
What are the key properties of ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate?
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate has a molecular weight of 361.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate is sourced from PubChem (CID 134677140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).