4-bromo-N-pyridin-3-ylbenzamide

C12H9BrN2O — CID 603115

IUPAC4-bromo-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
InChIKeyWBGOUSGRVAAACL-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.10
Rot. Bonds2

About 4-bromo-N-pyridin-3-ylbenzamide

4-bromo-N-pyridin-3-ylbenzamide (PubChem CID 603115) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-bromo-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-pyridin-3-ylbenzamide
PubChem CID603115
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name4-bromo-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
InChIKeyWBGOUSGRVAAACL-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-bromo-N-pyridin-3-ylbenzamide (CID 603115) is 4-bromo-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-bromo-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-pyridin-3-ylbenzamide?
The InChIKey is WBGOUSGRVAAACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16).
What are the key properties of 4-bromo-N-pyridin-3-ylbenzamide?
4-bromo-N-pyridin-3-ylbenzamide has a molecular weight of 277.12 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 603115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).