methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate

C8H5ClF3NO2 — CID 130072026

IUPACmethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1c(F)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF3NO2/c1-15-8(14)5-3(10)2-4(9)13-6(5)7(11)12/h2,7H,1H3
InChIKeyZVQCZPPLARKQSX-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.60
Rot. Bonds2

About methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate

methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate (PubChem CID 130072026) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
PubChem CID130072026
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Namemethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1c(F)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF3NO2/c1-15-8(14)5-3(10)2-4(9)13-6(5)7(11)12/h2,7H,1H3
InChIKeyZVQCZPPLARKQSX-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.60
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 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate (CID 130072026) is methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate is COC(=O)c1c(F)cc(Cl)nc1C(F)F.
What is the InChIKey of methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
The InChIKey is ZVQCZPPLARKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-15-8(14)5-3(10)2-4(9)13-6(5)7(11)12/h2,7H,1H3.
What are the key properties of methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate?
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate has a molecular weight of 239.58 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate is sourced from PubChem (CID 130072026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).