methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate

C8H5ClF3NO2 — CID 134676704

IUPACmethyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C(F)F)nc1F
InChIInChI=1S/C8H5ClF3NO2/c1-15-8(14)3-2-4(9)5(6(10)11)13-7(3)12/h2,6H,1H3
InChIKeyNDIIEZXZOGTIRF-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.60
Rot. Bonds2

About methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate

methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate (PubChem CID 134676704) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
PubChem CID134676704
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Namemethyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C(F)F)nc1F
InChIInChI=1S/C8H5ClF3NO2/c1-15-8(14)3-2-4(9)5(6(10)11)13-7(3)12/h2,6H,1H3
InChIKeyNDIIEZXZOGTIRF-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 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 3-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-4-carboxylate
CID 130082005
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 130108323
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
methyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228224
methyl 6-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 130082353

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate (CID 134676704) is methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate is COC(=O)c1cc(Cl)c(C(F)F)nc1F.
What is the InChIKey of methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate?
The InChIKey is NDIIEZXZOGTIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-15-8(14)3-2-4(9)5(6(10)11)13-7(3)12/h2,6H,1H3.
What are the key properties of methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate?
methyl 5-chloro-6-(difluoromethyl)-2-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 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate is sourced from PubChem (CID 134676704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).