ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate

C8H8ClFN2O2 — CID 154644444

IUPACethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(F)c1N
InChIInChI=1S/C8H8ClFN2O2/c1-2-14-8(13)4-3-12-7(9)5(10)6(4)11/h3H,2H2,1H3,(H2,11,12)
InChIKeyBYIJYBRHUZZBLR-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.63
Rot. Bonds2

About ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate

ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate (PubChem CID 154644444) has the molecular formula C8H8ClFN2O2 and a molecular weight of 218.61 g/mol. Its IUPAC name is ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate
PubChem CID154644444
Molecular FormulaC8H8ClFN2O2
Molecular Weight218.61 g/mol
Exact Mass218.03
IUPAC Nameethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(F)c1N
InChIInChI=1S/C8H8ClFN2O2/c1-2-14-8(13)4-3-12-7(9)5(10)6(4)11/h3H,2H2,1H3,(H2,11,12)
InChIKeyBYIJYBRHUZZBLR-UHFFFAOYSA-N
XLogP1.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate (CID 154644444) is ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)c(F)c1N.
What is the InChIKey of ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate?
The InChIKey is BYIJYBRHUZZBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O2/c1-2-14-8(13)4-3-12-7(9)5(10)6(4)11/h3H,2H2,1H3,(H2,11,12).
What are the key properties of ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate?
ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate has a molecular weight of 218.61 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 154644444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).