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

C9H11BrN2O2 — CID 62954201

IUPAC5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O2/c1-14-5-4-11-9(13)8-3-2-7(10)6-12-8/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyTXHBIDHOGGWIFC-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.22
Rot. Bonds4

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

5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 62954201) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID62954201
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O2/c1-14-5-4-11-9(13)8-3-2-7(10)6-12-8/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyTXHBIDHOGGWIFC-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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Related Compounds

5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 62954201) is 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is TXHBIDHOGGWIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-14-5-4-11-9(13)8-3-2-7(10)6-12-8/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-bromo-N-(2-methoxyethyl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 62954201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).