5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide

C10H13BrN2O3 — CID 155895072

IUPAC5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide
SMILESCOC(Cc1ncc(Br)cc1C(N)=O)OC
InChIInChI=1S/C10H13BrN2O3/c1-15-9(16-2)4-8-7(10(12)14)3-6(11)5-13-8/h3,5,9H,4H2,1-2H3,(H2,12,14)
InChIKeyHPIBVJHOBFYTLU-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.10
Rot. Bonds5

About 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide

5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide (PubChem CID 155895072) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide
PubChem CID155895072
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide
SMILESCOC(Cc1ncc(Br)cc1C(N)=O)OC
InChIInChI=1S/C10H13BrN2O3/c1-15-9(16-2)4-8-7(10(12)14)3-6(11)5-13-8/h3,5,9H,4H2,1-2H3,(H2,12,14)
InChIKeyHPIBVJHOBFYTLU-UHFFFAOYSA-N
XLogP1.10
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide (CID 155895072) is 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide is COC(Cc1ncc(Br)cc1C(N)=O)OC.
What is the InChIKey of 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide?
The InChIKey is HPIBVJHOBFYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-9(16-2)4-8-7(10(12)14)3-6(11)5-13-8/h3,5,9H,4H2,1-2H3,(H2,12,14).
What are the key properties of 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide?
5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155895072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).