N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide

C14H9BrFN3O — CID 2995114

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(C#N)cc2F)ccc1Br
InChIInChI=1S/C14H9BrFN3O/c1-8-11(15)4-5-13(18-8)19-14(20)10-3-2-9(7-17)6-12(10)16/h2-6H,1H3,(H,18,19,20)
InChIKeyOIFUWVJSAVAAAO-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.42
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide (PubChem CID 2995114) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide
PubChem CID2995114
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(C#N)cc2F)ccc1Br
InChIInChI=1S/C14H9BrFN3O/c1-8-11(15)4-5-13(18-8)19-14(20)10-3-2-9(7-17)6-12(10)16/h2-6H,1H3,(H,18,19,20)
InChIKeyOIFUWVJSAVAAAO-UHFFFAOYSA-N
XLogP3.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide (CID 2995114) is N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide is Cc1nc(NC(=O)c2ccc(C#N)cc2F)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide?
The InChIKey is OIFUWVJSAVAAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c1-8-11(15)4-5-13(18-8)19-14(20)10-3-2-9(7-17)6-12(10)16/h2-6H,1H3,(H,18,19,20).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide has a molecular weight of 334.15 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 2995114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).