ethyl 6-chloro-5-fluoropyridine-2-carboxylate

C8H7ClFNO2 — CID 46311494

IUPACethyl 6-chloro-5-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(F)c(Cl)n1
InChIInChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2H2,1H3
InChIKeyKWTMHGPYAWOBKD-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.05
Rot. Bonds2

About ethyl 6-chloro-5-fluoropyridine-2-carboxylate

ethyl 6-chloro-5-fluoropyridine-2-carboxylate (PubChem CID 46311494) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is ethyl 6-chloro-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-fluoropyridine-2-carboxylate
PubChem CID46311494
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Nameethyl 6-chloro-5-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(F)c(Cl)n1
InChIInChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2H2,1H3
InChIKeyKWTMHGPYAWOBKD-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-fluoropyridine-2-carboxamide
CID 131442964
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 6-chloro-5-fluoropyridine-2-carboxylate (CID 46311494) is ethyl 6-chloro-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-fluoropyridine-2-carboxylate is CCOC(=O)c1ccc(F)c(Cl)n1.
What is the InChIKey of ethyl 6-chloro-5-fluoropyridine-2-carboxylate?
The InChIKey is KWTMHGPYAWOBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2H2,1H3.
What are the key properties of ethyl 6-chloro-5-fluoropyridine-2-carboxylate?
ethyl 6-chloro-5-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 6-chloro-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 46311494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).