ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate

C11H13F2NO3 — CID 87426994

IUPACethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC(F)F)nc1C
InChIInChI=1S/C11H13F2NO3/c1-3-16-11(15)8-4-5-10(14-7(8)2)17-6-9(12)13/h4-5,9H,3,6H2,1-2H3
InChIKeyQDNKOBOUGUASLB-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.21
Rot. Bonds5

About ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate

ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate (PubChem CID 87426994) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate
PubChem CID87426994
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC(F)F)nc1C
InChIInChI=1S/C11H13F2NO3/c1-3-16-11(15)8-4-5-10(14-7(8)2)17-6-9(12)13/h4-5,9H,3,6H2,1-2H3
InChIKeyQDNKOBOUGUASLB-UHFFFAOYSA-N
XLogP2.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoroethyl 2-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 87426370
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 6-(5-ethoxycarbonyl-6-nitro-2-pyridinyl)-2-methylpyridine-3-carboxylate
CID 54542288
methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
CID 86728150
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 2-amino-5-(2,2-difluoroethoxy)-4-fluorobenzoate
CID 82006440
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82007221

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate (CID 87426994) is ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(OCC(F)F)nc1C.
What is the InChIKey of ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate?
The InChIKey is QDNKOBOUGUASLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-3-16-11(15)8-4-5-10(14-7(8)2)17-6-9(12)13/h4-5,9H,3,6H2,1-2H3.
What are the key properties of ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate?
ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate has a molecular weight of 245.22 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 87426994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).