methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate

C9H8ClF2NO3 — CID 86669289

IUPACmethyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1OCC(F)F
InChIInChI=1S/C9H8ClF2NO3/c1-15-9(14)5-2-3-6(10)13-8(5)16-4-7(11)12/h2-3,7H,4H2,1H3
InChIKeyCQMKEANVAMTZQT-UHFFFAOYSA-N
MW251.62 g/mol
LogP2.17
Rot. Bonds4

About methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate

methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate (PubChem CID 86669289) has the molecular formula C9H8ClF2NO3 and a molecular weight of 251.62 g/mol. Its IUPAC name is methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate
PubChem CID86669289
Molecular FormulaC9H8ClF2NO3
Molecular Weight251.62 g/mol
Exact Mass251.02
IUPAC Namemethyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1OCC(F)F
InChIInChI=1S/C9H8ClF2NO3/c1-15-9(14)5-2-3-6(10)13-8(5)16-4-7(11)12/h2-3,7H,4H2,1H3
InChIKeyCQMKEANVAMTZQT-UHFFFAOYSA-N
XLogP2.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate (CID 86669289) is methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate is COC(=O)c1ccc(Cl)nc1OCC(F)F.
What is the InChIKey of methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The InChIKey is CQMKEANVAMTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO3/c1-15-9(14)5-2-3-6(10)13-8(5)16-4-7(11)12/h2-3,7H,4H2,1H3.
What are the key properties of methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate?
methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate has a molecular weight of 251.62 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(2,2-difluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 86669289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).