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SYEVWDFYUKSMGY-UHFFFAOYSA-N

C16H14N2O2 — CID 12872284

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)14-13-10-6-7-11-18(13)17-15(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeySYEVWDFYUKSMGY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.18
Rot. Bonds3

About SYEVWDFYUKSMGY-UHFFFAOYSA-N

SYEVWDFYUKSMGY-UHFFFAOYSA-N (PubChem CID 12872284) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound NameSYEVWDFYUKSMGY-UHFFFAOYSA-N
PubChem CID12872284
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)14-13-10-6-7-11-18(13)17-15(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeySYEVWDFYUKSMGY-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of SYEVWDFYUKSMGY-UHFFFAOYSA-N?
The IUPAC name of SYEVWDFYUKSMGY-UHFFFAOYSA-N (CID 12872284) is ethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for SYEVWDFYUKSMGY-UHFFFAOYSA-N?
The canonical SMILES for SYEVWDFYUKSMGY-UHFFFAOYSA-N is CCOC(=O)c1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of SYEVWDFYUKSMGY-UHFFFAOYSA-N?
The InChIKey is SYEVWDFYUKSMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)14-13-10-6-7-11-18(13)17-15(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of SYEVWDFYUKSMGY-UHFFFAOYSA-N?
SYEVWDFYUKSMGY-UHFFFAOYSA-N has a molecular weight of 266.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for SYEVWDFYUKSMGY-UHFFFAOYSA-N is sourced from PubChem (CID 12872284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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