N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide

C13H11BrN2O2 — CID 46880372

IUPACN-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1
InChIInChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17)
InChIKeyVBLOVSRAUWMBNG-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.45
Rot. Bonds3

About N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide

N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 46880372) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID46880372
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1
InChIInChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17)
InChIKeyVBLOVSRAUWMBNG-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 46880372) is N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1.
What is the InChIKey of N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is VBLOVSRAUWMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17).
What are the key properties of N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 307.15 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 46880372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).