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

C10H8ClF4NO3 — CID 87426370

IUPAC2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate
SMILESO=C(OCC(F)F)c1ccc(OCC(F)F)nc1Cl
InChIInChI=1S/C10H8ClF4NO3/c11-9-5(10(17)19-4-7(14)15)1-2-8(16-9)18-3-6(12)13/h1-2,6-7H,3-4H2
InChIKeyWQRMFIBZHIBTMV-UHFFFAOYSA-N
MW301.62 g/mol
LogP2.80
Rot. Bonds6

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

2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate (PubChem CID 87426370) has the molecular formula C10H8ClF4NO3 and a molecular weight of 301.62 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate
PubChem CID87426370
Molecular FormulaC10H8ClF4NO3
Molecular Weight301.62 g/mol
Exact Mass301.01
IUPAC Name2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate
SMILESO=C(OCC(F)F)c1ccc(OCC(F)F)nc1Cl
InChIInChI=1S/C10H8ClF4NO3/c11-9-5(10(17)19-4-7(14)15)1-2-8(16-9)18-3-6(12)13/h1-2,6-7H,3-4H2
InChIKeyWQRMFIBZHIBTMV-UHFFFAOYSA-N
XLogP2.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 52.80
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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Related Compounds

ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate
CID 87426994
2,2-difluoroethyl 4-amino-2-chlorobenzoate
CID 61322786
2,2-difluoroethyl 2-aminobenzoate
CID 61321077
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
CID 87426689
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride
CID 121268136
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate (CID 87426370) is 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate is O=C(OCC(F)F)c1ccc(OCC(F)F)nc1Cl.
What is the InChIKey of 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The InChIKey is WQRMFIBZHIBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO3/c11-9-5(10(17)19-4-7(14)15)1-2-8(16-9)18-3-6(12)13/h1-2,6-7H,3-4H2.
What are the key properties of 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate has a molecular weight of 301.62 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 87426370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).