5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide

C11H9BrN2O2 — CID 774874

IUPAC5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C11H9BrN2O2/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8/h2-6H,1H3,(H,13,14,15)
InChIKeyKOYNCPCFHDQUQY-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.00
Rot. Bonds2

About 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide

5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 774874) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
PubChem CID774874
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C11H9BrN2O2/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8/h2-6H,1H3,(H,13,14,15)
InChIKeyKOYNCPCFHDQUQY-UHFFFAOYSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide (CID 774874) is 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide is Cc1ccnc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is KOYNCPCFHDQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 774874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).