ethyl 5-fluoropyridine-2-carboxylate

C8H8FNO2 — CID 10986675

IUPACethyl 5-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(F)cn1
InChIInChI=1S/C8H8FNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKeyAHMGOYHQXHQSQE-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.40
Rot. Bonds2

About ethyl 5-fluoropyridine-2-carboxylate

ethyl 5-fluoropyridine-2-carboxylate (PubChem CID 10986675) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is ethyl 5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoropyridine-2-carboxylate
PubChem CID10986675
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Nameethyl 5-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(F)cn1
InChIInChI=1S/C8H8FNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKeyAHMGOYHQXHQSQE-UHFFFAOYSA-N
XLogP1.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
2-(1-ethoxyethenyl)-5-fluoropyridine
CID 90409536
ethyl 6-fluoroisoquinoline-3-carboxylate
CID 73012991
ethyl 2,2-difluoro-3-(5-fluoro-2-pyridinyl)-3-oxopropanoate
CID 79713225
(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate
CID 84600222
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate
CID 75454549
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
ethyl 5-(2-aminopropyl)pyridine-2-carboxylate
CID 15067117
3,3-diethoxy-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112583457
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928247

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 5-fluoropyridine-2-carboxylate (CID 10986675) is ethyl 5-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 5-fluoropyridine-2-carboxylate is CCOC(=O)c1ccc(F)cn1.
What is the InChIKey of ethyl 5-fluoropyridine-2-carboxylate?
The InChIKey is AHMGOYHQXHQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-fluoropyridine-2-carboxylate?
ethyl 5-fluoropyridine-2-carboxylate has a molecular weight of 169.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 10986675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).