5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde

C11H7NO3 — CID 165454352

IUPAC5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cncc(-c2ccc(C=O)o2)c1
InChIInChI=1S/C11H7NO3/c13-6-8-3-9(5-12-4-8)11-2-1-10(7-14)15-11/h1-7H
InChIKeyWVANPGJFCYUDEV-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.97
Rot. Bonds3

About 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde

5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde (PubChem CID 165454352) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde
PubChem CID165454352
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cncc(-c2ccc(C=O)o2)c1
InChIInChI=1S/C11H7NO3/c13-6-8-3-9(5-12-4-8)11-2-1-10(7-14)15-11/h1-7H
InChIKeyWVANPGJFCYUDEV-UHFFFAOYSA-N
XLogP1.97
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-(4-aminophenyl)pyridine-3-carbaldehyde
CID 87406036
5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
CID 169335702
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde
CID 169332508
5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde
CID 135187584
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
5-thiophen-2-ylpyridine-3-carbaldehyde
CID 11805508
5-(2-bromophenyl)pyridine-3-carbaldehyde
CID 24729817

Frequently Asked Questions

What is the IUPAC name of 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde (CID 165454352) is 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde is O=Cc1cncc(-c2ccc(C=O)o2)c1.
What is the InChIKey of 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde?
The InChIKey is WVANPGJFCYUDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c13-6-8-3-9(5-12-4-8)11-2-1-10(7-14)15-11/h1-7H.
What are the key properties of 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde?
5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde has a molecular weight of 201.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 165454352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).