6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide

C14H13BrN2O — CID 6095594

IUPAC6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C14H13BrN2O/c15-13-8-4-7-12(17-13)14(18)16-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)
InChIKeyBJQJBARQZMTQSA-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.82
Rot. Bonds4

About 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide

6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 6095594) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID6095594
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C14H13BrN2O/c15-13-8-4-7-12(17-13)14(18)16-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)
InChIKeyBJQJBARQZMTQSA-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide (CID 6095594) is 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is BJQJBARQZMTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-13-8-4-7-12(17-13)14(18)16-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18).
What are the key properties of 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide?
6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 6095594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).