3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine

C12H10N2O3 — CID 55016356

IUPAC3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
SMILESC/C(=C\c1ccc(-c2cccnc2)o1)[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3/c1-9(14(15)16)7-11-4-5-12(17-11)10-3-2-6-13-8-10/h2-8H,1H3/b9-7+
InChIKeyWAKDDULSORALHP-VQHVLOKHSA-N
MW230.22 g/mol
LogP2.98
Rot. Bonds3

About 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine

3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine (PubChem CID 55016356) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
PubChem CID55016356
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
SMILESC/C(=C\c1ccc(-c2cccnc2)o1)[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3/c1-9(14(15)16)7-11-4-5-12(17-11)10-3-2-6-13-8-10/h2-8H,1H3/b9-7+
InChIKeyWAKDDULSORALHP-VQHVLOKHSA-N
XLogP2.98
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 ≤ 52.98
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

2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
CID 2193450
(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
CID 11355925
2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79322193
2-[3,5-bis(trifluoromethyl)phenyl]-5-[(E)-2-nitroprop-1-enyl]furan
CID 6085872
N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine
CID 79340012
ethyl 4-[5-[(Z)-2-nitroprop-1-enyl]furan-2-yl]benzoate
CID 685583
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(Z)-2-nitroprop-1-enyl]furan
CID 70653843
N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79328941
2-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771792
3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337226
2-nitroprop-1-enylbenzene
CID 12807
2-(2-bromo-2-nitroethenyl)-5-(3,5-dimethylphenyl)furan
CID 71427197

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine?
The IUPAC name of 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine (CID 55016356) is 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine.
What is the SMILES notation for 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine?
The canonical SMILES for 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine is C/C(=C\c1ccc(-c2cccnc2)o1)[N+](=O)[O-].
What is the InChIKey of 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine?
The InChIKey is WAKDDULSORALHP-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-9(14(15)16)7-11-4-5-12(17-11)10-3-2-6-13-8-10/h2-8H,1H3/b9-7+.
What are the key properties of 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine?
3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine has a molecular weight of 230.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine is sourced from PubChem (CID 55016356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).