ethyl 4-(difluoromethyl)pyridine-2-carboxylate

C9H9F2NO2 — CID 134672915

IUPACethyl 4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)ccn1
InChIInChI=1S/C9H9F2NO2/c1-2-14-9(13)7-5-6(8(10)11)3-4-12-7/h3-5,8H,2H2,1H3
InChIKeyAOWRSBQFCSNZFA-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.20
Rot. Bonds3

About ethyl 4-(difluoromethyl)pyridine-2-carboxylate

ethyl 4-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134672915) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134672915
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Nameethyl 4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)ccn1
InChIInChI=1S/C9H9F2NO2/c1-2-14-9(13)7-5-6(8(10)11)3-4-12-7/h3-5,8H,2H2,1H3
InChIKeyAOWRSBQFCSNZFA-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)pyridine-2-carboxylate (CID 134672915) is ethyl 4-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(C(F)F)ccn1.
What is the InChIKey of ethyl 4-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is AOWRSBQFCSNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-14-9(13)7-5-6(8(10)11)3-4-12-7/h3-5,8H,2H2,1H3.
What are the key properties of ethyl 4-(difluoromethyl)pyridine-2-carboxylate?
ethyl 4-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 201.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134672915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).