N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide

C8H9BrN2O2 — CID 114307487

IUPACN-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCBr)c1ccncc1O
InChIInChI=1S/C8H9BrN2O2/c9-2-4-11-8(13)6-1-3-10-5-7(6)12/h1,3,5,12H,2,4H2,(H,11,13)
InChIKeyDCKDQLPEMKGPAW-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.91
Rot. Bonds3

About N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide

N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 114307487) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
PubChem CID114307487
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC NameN-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCBr)c1ccncc1O
InChIInChI=1S/C8H9BrN2O2/c9-2-4-11-8(13)6-1-3-10-5-7(6)12/h1,3,5,12H,2,4H2,(H,11,13)
InChIKeyDCKDQLPEMKGPAW-UHFFFAOYSA-N
XLogP0.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 103762370
N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
CID 81443627
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide (CID 114307487) is N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide is O=C(NCCBr)c1ccncc1O.
What is the InChIKey of N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is DCKDQLPEMKGPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-2-4-11-8(13)6-1-3-10-5-7(6)12/h1,3,5,12H,2,4H2,(H,11,13).
What are the key properties of N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide?
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 245.08 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 114307487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).