N-(2-bromophenyl)pyridine-2-carboxamide

C12H9BrN2O — CID 640322

IUPACN-(2-bromophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccccn1
InChIInChI=1S/C12H9BrN2O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,(H,15,16)
InChIKeyBKWXFYLETBOFSR-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.10
Rot. Bonds2

About N-(2-bromophenyl)pyridine-2-carboxamide

N-(2-bromophenyl)pyridine-2-carboxamide (PubChem CID 640322) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(2-bromophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)pyridine-2-carboxamide
PubChem CID640322
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC NameN-(2-bromophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccccn1
InChIInChI=1S/C12H9BrN2O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,(H,15,16)
InChIKeyBKWXFYLETBOFSR-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 N-(2-bromophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)pyridine-2-carboxamide (CID 640322) is N-(2-bromophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1Br)c1ccccn1.
What is the InChIKey of N-(2-bromophenyl)pyridine-2-carboxamide?
The InChIKey is BKWXFYLETBOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,(H,15,16).
What are the key properties of N-(2-bromophenyl)pyridine-2-carboxamide?
N-(2-bromophenyl)pyridine-2-carboxamide 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 N-(2-bromophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 640322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).