5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide

C10H13BrN2O3 — CID 62958321

IUPAC5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOCCO)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O3/c11-8-1-2-9(13-7-8)10(15)12-3-5-16-6-4-14/h1-2,7,14H,3-6H2,(H,12,15)
InChIKeyNJBNEEBRZJCGDX-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.58
Rot. Bonds6

About 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide

5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide (PubChem CID 62958321) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
PubChem CID62958321
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOCCO)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O3/c11-8-1-2-9(13-7-8)10(15)12-3-5-16-6-4-14/h1-2,7,14H,3-6H2,(H,12,15)
InChIKeyNJBNEEBRZJCGDX-UHFFFAOYSA-N
XLogP0.58
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide (CID 62958321) is 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide is O=C(NCCOCCO)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is NJBNEEBRZJCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c11-8-1-2-9(13-7-8)10(15)12-3-5-16-6-4-14/h1-2,7,14H,3-6H2,(H,12,15).
What are the key properties of 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide?
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62958321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).