ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate

C11H10FN3O2 — CID 118048153

IUPACethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncccc2F)n[nH]1
InChIInChI=1S/C11H10FN3O2/c1-2-17-11(16)9-6-8(14-15-9)10-7(12)4-3-5-13-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyVTEYRXUNQBJZCW-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.79
Rot. Bonds3

About ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate

ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 118048153) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID118048153
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Nameethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncccc2F)n[nH]1
InChIInChI=1S/C11H10FN3O2/c1-2-17-11(16)9-6-8(14-15-9)10-7(12)4-3-5-13-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyVTEYRXUNQBJZCW-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate (CID 118048153) is ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ncccc2F)n[nH]1.
What is the InChIKey of ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is VTEYRXUNQBJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-2-17-11(16)9-6-8(14-15-9)10-7(12)4-3-5-13-10/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate?
ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 235.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-2-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 118048153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).