N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide

C13H9BrF2N2O — CID 103909591

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H9BrF2N2O/c1-7-11(4-5-12(14)17-7)18-13(19)9-6-8(15)2-3-10(9)16/h2-6H,1H3,(H,18,19)
InChIKeyHANACPARVBXDQI-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.68
Rot. Bonds2

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

N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide (PubChem CID 103909591) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
PubChem CID103909591
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H9BrF2N2O/c1-7-11(4-5-12(14)17-7)18-13(19)9-6-8(15)2-3-10(9)16/h2-6H,1H3,(H,18,19)
InChIKeyHANACPARVBXDQI-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.68
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

N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 114050876
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 113349881
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide (CID 103909591) is N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide is Cc1nc(Br)ccc1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide?
The InChIKey is HANACPARVBXDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c1-7-11(4-5-12(14)17-7)18-13(19)9-6-8(15)2-3-10(9)16/h2-6H,1H3,(H,18,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide has a molecular weight of 327.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide is sourced from PubChem (CID 103909591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).