6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide

C12H11BrN2O2 — CID 103874262

IUPAC6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Br)n1)c1ccco1
InChIInChI=1S/C12H11BrN2O2/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-11(13)15-9/h2-8H,1H3,(H,14,16)
InChIKeyOLBUYLRGVFVWCQ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.93
Rot. Bonds3

About 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide

6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 103874262) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID103874262
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Br)n1)c1ccco1
InChIInChI=1S/C12H11BrN2O2/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-11(13)15-9/h2-8H,1H3,(H,14,16)
InChIKeyOLBUYLRGVFVWCQ-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316387
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 10401418
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide (CID 103874262) is 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1cccc(Br)n1)c1ccco1.
What is the InChIKey of 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is OLBUYLRGVFVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-11(13)15-9/h2-8H,1H3,(H,14,16).
What are the key properties of 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide?
6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 103874262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).