3-(6-nitro-3-pyridinyl)prop-2-en-1-ol

C8H8N2O3 — CID 169453290

IUPAC3-(6-nitro-3-pyridinyl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1ccc(C=CCO)cn1
InChIInChI=1S/C8H8N2O3/c11-5-1-2-7-3-4-8(9-6-7)10(12)13/h1-4,6,11H,5H2
InChIKeyIHALOIBDAXLHAR-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.00
Rot. Bonds3

About 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol

3-(6-nitro-3-pyridinyl)prop-2-en-1-ol (PubChem CID 169453290) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(6-nitro-3-pyridinyl)prop-2-en-1-ol
PubChem CID169453290
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name3-(6-nitro-3-pyridinyl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1ccc(C=CCO)cn1
InChIInChI=1S/C8H8N2O3/c11-5-1-2-7-3-4-8(9-6-7)10(12)13/h1-4,6,11H,5H2
InChIKeyIHALOIBDAXLHAR-UHFFFAOYSA-N
XLogP1.00
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol (CID 169453290) is 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol is O=[N+]([O-])c1ccc(C=CCO)cn1.
What is the InChIKey of 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol?
The InChIKey is IHALOIBDAXLHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-5-1-2-7-3-4-8(9-6-7)10(12)13/h1-4,6,11H,5H2.
What are the key properties of 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol?
3-(6-nitro-3-pyridinyl)prop-2-en-1-ol has a molecular weight of 180.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-nitro-3-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 169453290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).