ethyl 5-chloro-3-fluoropyridine-2-carboxylate

C8H7ClFNO2 — CID 22013569

IUPACethyl 5-chloro-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)cc1F
InChIInChI=1S/C8H7ClFNO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKeyLYYXMJMPUIJGKL-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.05
Rot. Bonds2

About ethyl 5-chloro-3-fluoropyridine-2-carboxylate

ethyl 5-chloro-3-fluoropyridine-2-carboxylate (PubChem CID 22013569) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is ethyl 5-chloro-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3-fluoropyridine-2-carboxylate
PubChem CID22013569
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Nameethyl 5-chloro-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)cc1F
InChIInChI=1S/C8H7ClFNO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3
InChIKeyLYYXMJMPUIJGKL-UHFFFAOYSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-3-fluoropyridine-2-carboxylate (CID 22013569) is ethyl 5-chloro-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-3-fluoropyridine-2-carboxylate is CCOC(=O)c1ncc(Cl)cc1F.
What is the InChIKey of ethyl 5-chloro-3-fluoropyridine-2-carboxylate?
The InChIKey is LYYXMJMPUIJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-chloro-3-fluoropyridine-2-carboxylate?
ethyl 5-chloro-3-fluoropyridine-2-carboxylate has a molecular weight of 203.60 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 22013569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).