ethyl 3-(difluoromethoxy)pyridine-2-carboxylate

C9H9F2NO3 — CID 69379704

IUPACethyl 3-(difluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1OC(F)F
InChIInChI=1S/C9H9F2NO3/c1-2-14-8(13)7-6(15-9(10)11)4-3-5-12-7/h3-5,9H,2H2,1H3
InChIKeyNLDKZWZZHMQXIP-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.86
Rot. Bonds4

About ethyl 3-(difluoromethoxy)pyridine-2-carboxylate

ethyl 3-(difluoromethoxy)pyridine-2-carboxylate (PubChem CID 69379704) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is ethyl 3-(difluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethoxy)pyridine-2-carboxylate
PubChem CID69379704
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Nameethyl 3-(difluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1OC(F)F
InChIInChI=1S/C9H9F2NO3/c1-2-14-8(13)7-6(15-9(10)11)4-3-5-12-7/h3-5,9H,2H2,1H3
InChIKeyNLDKZWZZHMQXIP-UHFFFAOYSA-N
XLogP1.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(difluoromethoxy)pyridine-2-carboxylate (CID 69379704) is ethyl 3-(difluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1ncccc1OC(F)F.
What is the InChIKey of ethyl 3-(difluoromethoxy)pyridine-2-carboxylate?
The InChIKey is NLDKZWZZHMQXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-2-14-8(13)7-6(15-9(10)11)4-3-5-12-7/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 3-(difluoromethoxy)pyridine-2-carboxylate?
ethyl 3-(difluoromethoxy)pyridine-2-carboxylate has a molecular weight of 217.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 69379704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).