5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide

C9H11BrN2O2 — CID 2287991

IUPAC5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyQOVBXIIYBOEIMU-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.22
Rot. Bonds4

About 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide

5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 2287991) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID2287991
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyQOVBXIIYBOEIMU-UHFFFAOYSA-N
XLogP1.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 2287991) is 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is QOVBXIIYBOEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2287991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).