5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide

C11H8BrN3O2 — CID 3599810

IUPAC5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccco1)c1cncc(Br)c1
InChIInChI=1S/C11H8BrN3O2/c12-9-4-8(5-13-6-9)11(16)15-14-7-10-2-1-3-17-10/h1-7H,(H,15,16)
InChIKeyJLQLAKHNWVFBSV-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.20
Rot. Bonds3

About 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide

5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide (PubChem CID 3599810) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
PubChem CID3599810
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC Name5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccco1)c1cncc(Br)c1
InChIInChI=1S/C11H8BrN3O2/c12-9-4-8(5-13-6-9)11(16)15-14-7-10-2-1-3-17-10/h1-7H,(H,15,16)
InChIKeyJLQLAKHNWVFBSV-UHFFFAOYSA-N
XLogP2.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5404739
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 4648878
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 5458091
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 51042923
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide (CID 3599810) is 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide is O=C(NN=Cc1ccco1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide?
The InChIKey is JLQLAKHNWVFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-9-4-8(5-13-6-9)11(16)15-14-7-10-2-1-3-17-10/h1-7H,(H,15,16).
What are the key properties of 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide?
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide has a molecular weight of 294.11 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 3599810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).