[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol

C12H10N2O4 — CID 6436061

💊View drug profile → nifurpirinol
IUPAC[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1ccc(/C=C/c2cccc(CO)n2)o1
InChIInChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+
InChIKeyJQKHJQJVKRFMCO-SNAWJCMRSA-N
MW246.22 g/mol
LogP2.25
Rot. Bonds4

About [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol

[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol (PubChem CID 6436061) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol
PubChem CID6436061
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1ccc(/C=C/c2cccc(CO)n2)o1
InChIInChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+
InChIKeyJQKHJQJVKRFMCO-SNAWJCMRSA-N
XLogP2.25
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propen-1-one, 3-(5-nitro-2-furyl)-1-(2-pyridyl)-
CID 6446613
Furanace
CID 66367
2,6-Dimethyl-4-(5-nitrofuran-2-yl)pyridine
CID 13029618
6-Ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine
CID 13029619
2-Decoxy-6-methyl-4-(5-nitrofuran-2-yl)pyridine
CID 21559356
2-Methoxy-6-(5-nitrofuran-2-yl)pyridine
CID 21559358
2-Methoxy-6-methyl-4-(5-nitrofuran-2-yl)pyridine
CID 21559359
2-Decoxy-6-(5-nitrofuran-2-yl)pyridine
CID 21559361
2-Methyl-4-(5-nitrofuran-2-yl)-6-propoxypyridine
CID 21559362
N,N-dimethyl-2-[[6-(5-nitrofuran-2-yl)-2-pyridinyl]oxy]ethanamine
CID 21559363
2-[2-(5-Nitrofuran-2-yl)ethenyl]pyridine
CID 71414954
6-[2-(5-Nitrofuran-2-yl)ethenyl]pyridine-2-carbonyl chloride
CID 153767454

Frequently Asked Questions

What is the IUPAC name of [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol (CID 6436061) is [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol is O=[N+]([O-])c1ccc(/C=C/c2cccc(CO)n2)o1.
What is the InChIKey of [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol?
The InChIKey is JQKHJQJVKRFMCO-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+.
What are the key properties of [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol?
[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol has a molecular weight of 246.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 6436061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).