methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate

C8H5Cl2F2NO2 — CID 130099415

IUPACmethyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(Cl)nc1C(F)F
InChIInChI=1S/C8H5Cl2F2NO2/c1-15-8(14)3-2-4(9)6(10)13-5(3)7(11)12/h2,7H,1H3
InChIKeyARBLKBQEPUBJGZ-UHFFFAOYSA-N
MW256.03 g/mol
LogP3.11
Rot. Bonds2

About methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate

methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130099415) has the molecular formula C8H5Cl2F2NO2 and a molecular weight of 256.03 g/mol. Its IUPAC name is methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130099415
Molecular FormulaC8H5Cl2F2NO2
Molecular Weight256.03 g/mol
Exact Mass254.97
IUPAC Namemethyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(Cl)nc1C(F)F
InChIInChI=1S/C8H5Cl2F2NO2/c1-15-8(14)3-2-4(9)6(10)13-5(3)7(11)12/h2,7H,1H3
InChIKeyARBLKBQEPUBJGZ-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.03
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
methyl 6-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130084949
methyl 2-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133102502
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098701

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate (CID 130099415) is methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1cc(Cl)c(Cl)nc1C(F)F.
What is the InChIKey of methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is ARBLKBQEPUBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO2/c1-15-8(14)3-2-4(9)6(10)13-5(3)7(11)12/h2,7H,1H3.
What are the key properties of methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate?
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 256.03 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 130099415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).