4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine

C12H10N2O3 — CID 121015224

IUPAC4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
SMILESC/C(=C\c1ccc([N+](=O)[O-])o1)c1ccncc1
InChIInChI=1S/C12H10N2O3/c1-9(10-4-6-13-7-5-10)8-11-2-3-12(17-11)14(15)16/h2-8H,1H3/b9-8+
InChIKeyOOWHVIAHZFRRKS-CMDGGOBGSA-N
MW230.22 g/mol
LogP3.14
Rot. Bonds3

About 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine

4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine (PubChem CID 121015224) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine.

Molecular Properties

Compound Name4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
PubChem CID121015224
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
SMILESC/C(=C\c1ccc([N+](=O)[O-])o1)c1ccncc1
InChIInChI=1S/C12H10N2O3/c1-9(10-4-6-13-7-5-10)8-11-2-3-12(17-11)14(15)16/h2-8H,1H3/b9-8+
InChIKeyOOWHVIAHZFRRKS-CMDGGOBGSA-N
XLogP3.14
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
CID 126583837
2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine
CID 147085121
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
(3E)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(pyridin-4-ylmethylidene)urea
CID 10452903
N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
CID 79340423
N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79329289
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine?
The IUPAC name of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine (CID 121015224) is 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine.
What is the SMILES notation for 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine?
The canonical SMILES for 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine is C/C(=C\c1ccc([N+](=O)[O-])o1)c1ccncc1.
What is the InChIKey of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine?
The InChIKey is OOWHVIAHZFRRKS-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-9(10-4-6-13-7-5-10)8-11-2-3-12(17-11)14(15)16/h2-8H,1H3/b9-8+.
What are the key properties of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine?
4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine has a molecular weight of 230.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 121015224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).