2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide

C12H10BrN3O2 — CID 107075793

IUPAC2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccncc1Br
InChIInChI=1S/C12H10BrN3O2/c13-9-6-15-4-3-11(9)16-12(18)8-5-7(17)1-2-10(8)14/h1-6,17H,14H2,(H,15,16,18)
InChIKeyBHEIZZSOSWYZNJ-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.38
Rot. Bonds2

About 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide

2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide (PubChem CID 107075793) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
PubChem CID107075793
Molecular FormulaC12H10BrN3O2
Molecular Weight308.13 g/mol
Exact Mass307.00
IUPAC Name2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccncc1Br
InChIInChI=1S/C12H10BrN3O2/c13-9-6-15-4-3-11(9)16-12(18)8-5-7(17)1-2-10(8)14/h1-6,17H,14H2,(H,15,16,18)
InChIKeyBHEIZZSOSWYZNJ-UHFFFAOYSA-N
XLogP2.38
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-pyridinyl)-2-chloro-5-hydroxybenzamide
CID 106500113
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
CID 115950780
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
CID 107073971
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
CID 136792800

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide (CID 107075793) is 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide is Nc1ccc(O)cc1C(=O)Nc1ccncc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide?
The InChIKey is BHEIZZSOSWYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-9-6-15-4-3-11(9)16-12(18)8-5-7(17)1-2-10(8)14/h1-6,17H,14H2,(H,15,16,18).
What are the key properties of 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide?
2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide has a molecular weight of 308.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide is sourced from PubChem (CID 107075793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).