3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide

C13H10BrFN2O — CID 113461587

IUPAC3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(F)nc2)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-4-9(6-10(14)5-8)13(18)17-11-2-3-12(15)16-7-11/h2-7H,1H3,(H,17,18)
InChIKeyUUCKFIQZRKBABP-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide

3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide (PubChem CID 113461587) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
PubChem CID113461587
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(F)nc2)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-4-9(6-10(14)5-8)13(18)17-11-2-3-12(15)16-7-11/h2-7H,1H3,(H,17,18)
InChIKeyUUCKFIQZRKBABP-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-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973532
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 104850638

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide (CID 113461587) is 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2ccc(F)nc2)c1.
What is the InChIKey of 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide?
The InChIKey is UUCKFIQZRKBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-4-9(6-10(14)5-8)13(18)17-11-2-3-12(15)16-7-11/h2-7H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide?
3-bromo-N-(6-fluoro-3-pyridinyl)-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 3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide is sourced from PubChem (CID 113461587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).