3-(4-cyano-2-pyridinyl)-2-fluorobenzamide

C13H8FN3O — CID 90303068

IUPAC3-(4-cyano-2-pyridinyl)-2-fluorobenzamide
SMILESN#Cc1ccnc(-c2cccc(C(N)=O)c2F)c1
InChIInChI=1S/C13H8FN3O/c14-12-9(2-1-3-10(12)13(16)18)11-6-8(7-15)4-5-17-11/h1-6H,(H2,16,18)
InChIKeyHHSVRPIIGYNEQX-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.86
Rot. Bonds2

About 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide

3-(4-cyano-2-pyridinyl)-2-fluorobenzamide (PubChem CID 90303068) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-(4-cyano-2-pyridinyl)-2-fluorobenzamide
PubChem CID90303068
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name3-(4-cyano-2-pyridinyl)-2-fluorobenzamide
SMILESN#Cc1ccnc(-c2cccc(C(N)=O)c2F)c1
InChIInChI=1S/C13H8FN3O/c14-12-9(2-1-3-10(12)13(16)18)11-6-8(7-15)4-5-17-11/h1-6H,(H2,16,18)
InChIKeyHHSVRPIIGYNEQX-UHFFFAOYSA-N
XLogP1.86
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide (CID 90303068) is 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide is N#Cc1ccnc(-c2cccc(C(N)=O)c2F)c1.
What is the InChIKey of 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is HHSVRPIIGYNEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-12-9(2-1-3-10(12)13(16)18)11-6-8(7-15)4-5-17-11/h1-6H,(H2,16,18).
What are the key properties of 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide?
3-(4-cyano-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 241.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 90303068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).