ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate

C14H11F2NO2 — CID 21062877

IUPACethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO2/c1-2-19-14(18)11-4-3-7-17-13(11)10-6-5-9(15)8-12(10)16/h3-8H,2H2,1H3
InChIKeyHQBVIAUGIPKJHW-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.20
Rot. Bonds3

About ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate

ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate (PubChem CID 21062877) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
PubChem CID21062877
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO2/c1-2-19-14(18)11-4-3-7-17-13(11)10-6-5-9(15)8-12(10)16/h3-8H,2H2,1H3
InChIKeyHQBVIAUGIPKJHW-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 77174619
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
CID 174669699
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469859
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
CID 56590056
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate (CID 21062877) is ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The InChIKey is HQBVIAUGIPKJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-2-19-14(18)11-4-3-7-17-13(11)10-6-5-9(15)8-12(10)16/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate?
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate has a molecular weight of 263.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 21062877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).