3-benzyl-5-bromopyridine-2-carboxamide

C13H11BrN2O — CID 141369316

IUPAC3-benzyl-5-bromopyridine-2-carboxamide
SMILESNC(=O)c1ncc(Br)cc1Cc1ccccc1
InChIInChI=1S/C13H11BrN2O/c14-11-7-10(12(13(15)17)16-8-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,17)
InChIKeyBIDWURBJMPWLNW-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.53
Rot. Bonds3

About 3-benzyl-5-bromopyridine-2-carboxamide

3-benzyl-5-bromopyridine-2-carboxamide (PubChem CID 141369316) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-benzyl-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound Name3-benzyl-5-bromopyridine-2-carboxamide
PubChem CID141369316
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name3-benzyl-5-bromopyridine-2-carboxamide
SMILESNC(=O)c1ncc(Br)cc1Cc1ccccc1
InChIInChI=1S/C13H11BrN2O/c14-11-7-10(12(13(15)17)16-8-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,17)
InChIKeyBIDWURBJMPWLNW-UHFFFAOYSA-N
XLogP2.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-bromopyridine-2-carboxamide?
The IUPAC name of 3-benzyl-5-bromopyridine-2-carboxamide (CID 141369316) is 3-benzyl-5-bromopyridine-2-carboxamide.
What is the SMILES notation for 3-benzyl-5-bromopyridine-2-carboxamide?
The canonical SMILES for 3-benzyl-5-bromopyridine-2-carboxamide is NC(=O)c1ncc(Br)cc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-bromopyridine-2-carboxamide?
The InChIKey is BIDWURBJMPWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-7-10(12(13(15)17)16-8-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,17).
What are the key properties of 3-benzyl-5-bromopyridine-2-carboxamide?
3-benzyl-5-bromopyridine-2-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 141369316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).