4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide

C12H10BrN3O2 — CID 103518713

IUPAC4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide
SMILESNC(=O)c1ccc(Oc2c(N)cncc2Br)cc1
InChIInChI=1S/C12H10BrN3O2/c13-9-5-16-6-10(14)11(9)18-8-3-1-7(2-4-8)12(15)17/h1-6H,14H2,(H2,15,17)
InChIKeyJQDUOGBZQMCRTR-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.32
Rot. Bonds3

About 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide

4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide (PubChem CID 103518713) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide
PubChem CID103518713
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide
SMILESNC(=O)c1ccc(Oc2c(N)cncc2Br)cc1
InChIInChI=1S/C12H10BrN3O2/c13-9-5-16-6-10(14)11(9)18-8-3-1-7(2-4-8)12(15)17/h1-6H,14H2,(H2,15,17)
InChIKeyJQDUOGBZQMCRTR-UHFFFAOYSA-N
XLogP2.32
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(3,4-difluorophenoxy)pyridin-3-amine
CID 103518756
5-bromo-4-(6-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 103518685
5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine
CID 103518810
4-(4-carbamoylphenoxy)benzamide
CID 156597124
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyridin-3-amine
CID 103518724
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
CID 104507271
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
4-(4-amino-3-methylphenoxy)benzamide
CID 43381706
4-(1,3-thiazol-5-yloxy)benzamide
CID 142116929
5-bromo-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 103518744
4-(4-hydroxyphenoxy)benzamide
CID 60869896
4-[(6-cyano-3-pyridinyl)oxy]benzamide
CID 115487898

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide?
The IUPAC name of 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide (CID 103518713) is 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide.
What is the SMILES notation for 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide?
The canonical SMILES for 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide is NC(=O)c1ccc(Oc2c(N)cncc2Br)cc1.
What is the InChIKey of 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide?
The InChIKey is JQDUOGBZQMCRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-9-5-16-6-10(14)11(9)18-8-3-1-7(2-4-8)12(15)17/h1-6H,14H2,(H2,15,17).
What are the key properties of 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide?
4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide has a molecular weight of 308.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide is sourced from PubChem (CID 103518713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).