N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide

C13H10BrFN2O — CID 103819167

IUPACN-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccnc2Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14/h2-7H,1H3,(H,17,18)
InChIKeyKADXEFGEZVDIIK-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide

N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide (PubChem CID 103819167) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
PubChem CID103819167
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccnc2Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14/h2-7H,1H3,(H,17,18)
InChIKeyKADXEFGEZVDIIK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
CID 114051406
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
CID 113343049
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide (CID 103819167) is N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2cccnc2Br)c1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide?
The InChIKey is KADXEFGEZVDIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide?
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide 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-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 103819167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).