5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide

C12H11BrN2O2 — CID 17433430

IUPAC5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccco1)c1cncc(Br)c1
InChIInChI=1S/C12H11BrN2O2/c13-10-6-9(7-14-8-10)12(16)15-4-3-11-2-1-5-17-11/h1-2,5-8H,3-4H2,(H,15,16)
InChIKeyKGVRGXWVQZULSP-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.41
Rot. Bonds4

About 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide

5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 17433430) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID17433430
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccco1)c1cncc(Br)c1
InChIInChI=1S/C12H11BrN2O2/c13-10-6-9(7-14-8-10)12(16)15-4-3-11-2-1-5-17-11/h1-2,5-8H,3-4H2,(H,15,16)
InChIKeyKGVRGXWVQZULSP-UHFFFAOYSA-N
XLogP2.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide (CID 17433430) is 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccco1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is KGVRGXWVQZULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-10-6-9(7-14-8-10)12(16)15-4-3-11-2-1-5-17-11/h1-2,5-8H,3-4H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.41, 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-(furan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17433430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).