3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide

C15H8FN3O — CID 70682864

IUPAC3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide
SMILESN#Cc1cccc(C#Cc2cc(F)cc(C(N)=O)c2)n1
InChIInChI=1S/C15H8FN3O/c16-12-7-10(6-11(8-12)15(18)20)4-5-13-2-1-3-14(9-17)19-13/h1-3,6-8H,(H2,18,20)
InChIKeyICKZZSYLGSPEHR-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.59
Rot. Bonds1

About 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide

3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide (PubChem CID 70682864) has the molecular formula C15H8FN3O and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide
PubChem CID70682864
Molecular FormulaC15H8FN3O
Molecular Weight265.25 g/mol
Exact Mass265.07
IUPAC Name3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide
SMILESN#Cc1cccc(C#Cc2cc(F)cc(C(N)=O)c2)n1
InChIInChI=1S/C15H8FN3O/c16-12-7-10(6-11(8-12)15(18)20)4-5-13-2-1-3-14(9-17)19-13/h1-3,6-8H,(H2,18,20)
InChIKeyICKZZSYLGSPEHR-UHFFFAOYSA-N
XLogP1.59
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-(6-ethylpyridin-2-yl)-5-fluorobenzamide
CID 49862385
1-(3-(2-(6-Methylpyridin-2-yl)ethynyl)phenyl)ethanone
CID 18763228
3-cyano-5-fluoro-N-(6-methylpyridin-2-yl)benzamide
CID 24965066
(3-Fluorophenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 57574919
(3-Methylphenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 57575012
3-cyano-5-fluoro-N-(6-propylpyridin-2-yl)benzamide
CID 54585448
3-[2-(6-Acetyl-2-pyridinyl)ethynyl]-5-fluorobenzonitrile
CID 70684934
3-[2-(6-Acetyl-2-pyridinyl)ethynyl]benzonitrile
CID 70689177
4-[2-(4-Cyanophenyl)-6-(3-fluorophenyl)-4-pyridinyl]benzamide
CID 145984862
N-(3-cyanophenyl)-6-methylpyridine-2-carboxamide
CID 24701455
3-(6-Formylpyridin-2-yl)benzonitrile
CID 1519480
n-(4-Cyanophenyl)-6-methylpicolinamide
CID 24697241

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide?
The IUPAC name of 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide (CID 70682864) is 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide.
What is the SMILES notation for 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide?
The canonical SMILES for 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide is N#Cc1cccc(C#Cc2cc(F)cc(C(N)=O)c2)n1.
What is the InChIKey of 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide?
The InChIKey is ICKZZSYLGSPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O/c16-12-7-10(6-11(8-12)15(18)20)4-5-13-2-1-3-14(9-17)19-13/h1-3,6-8H,(H2,18,20).
What are the key properties of 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide?
3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide has a molecular weight of 265.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-cyano-2-pyridinyl)ethynyl]-5-fluorobenzamide is sourced from PubChem (CID 70682864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).