3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide

C12H9BrFN3O — CID 114051412

IUPAC3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C12H9BrFN3O/c13-11-2-1-10(6-16-11)17-12(18)7-3-8(14)5-9(15)4-7/h1-6H,15H2,(H,17,18)
InChIKeyDKWTYVNIHRGBTL-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.82
Rot. Bonds2

About 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide

3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide (PubChem CID 114051412) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
PubChem CID114051412
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C12H9BrFN3O/c13-11-2-1-10(6-16-11)17-12(18)7-3-8(14)5-9(15)4-7/h1-6H,15H2,(H,17,18)
InChIKeyDKWTYVNIHRGBTL-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide?
The IUPAC name of 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide (CID 114051412) is 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide is Nc1cc(F)cc(C(=O)Nc2ccc(Br)nc2)c1.
What is the InChIKey of 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide?
The InChIKey is DKWTYVNIHRGBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-11-2-1-10(6-16-11)17-12(18)7-3-8(14)5-9(15)4-7/h1-6H,15H2,(H,17,18).
What are the key properties of 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide?
3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide has a molecular weight of 310.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 114051412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).