methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate

C8H5ClF2INO2 — CID 130073412

IUPACmethyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
SMILESCOC(=O)c1c(I)ncc(Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c1-15-8(14)5-4(6(10)11)3(9)2-13-7(5)12/h2,6H,1H3
InChIKeyOBOIBODDZNSAPF-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.06
Rot. Bonds2

About methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate

methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate (PubChem CID 130073412) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
PubChem CID130073412
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Namemethyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
SMILESCOC(=O)c1c(I)ncc(Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c1-15-8(14)5-4(6(10)11)3(9)2-13-7(5)12/h2,6H,1H3
InChIKeyOBOIBODDZNSAPF-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
methyl 5-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133099981
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
methyl 2-chloro-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 130074412
methyl 5-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661548
5-chloro-4-(difluoromethyl)-2,3-diiodopyridine
CID 130100430
methyl 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133100970
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
ethyl 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100784
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
CID 130084011

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate (CID 130073412) is methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate is COC(=O)c1c(I)ncc(Cl)c1C(F)F.
What is the InChIKey of methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate?
The InChIKey is OBOIBODDZNSAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c1-15-8(14)5-4(6(10)11)3(9)2-13-7(5)12/h2,6H,1H3.
What are the key properties of methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate?
methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate has a molecular weight of 347.49 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate is sourced from PubChem (CID 130073412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).