N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide

C13H10BrFN2O — CID 925730

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide
SMILESCc1nc(NC(=O)c2cccc(F)c2)ccc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-11(14)5-6-12(16-8)17-13(18)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,16,17,18)
InChIKeyIQIMHFDEWYZLGQ-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide (PubChem CID 925730) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide
PubChem CID925730
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide
SMILESCc1nc(NC(=O)c2cccc(F)c2)ccc1Br
InChIInChI=1S/C13H10BrFN2O/c1-8-11(14)5-6-12(16-8)17-13(18)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,16,17,18)
InChIKeyIQIMHFDEWYZLGQ-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide (CID 925730) is N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide is Cc1nc(NC(=O)c2cccc(F)c2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is IQIMHFDEWYZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-11(14)5-6-12(16-8)17-13(18)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 309.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 925730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).