3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile

C8H5N3O3 — CID 169483769

IUPAC3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile
SMILESN#CC=Cc1ccc(O)c([N+](=O)[O-])n1
InChIInChI=1S/C8H5N3O3/c9-5-1-2-6-3-4-7(12)8(10-6)11(13)14/h1-4,12H
InChIKeyCCXPBAMRPASJGF-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.23
Rot. Bonds2

About 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile

3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile (PubChem CID 169483769) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile
PubChem CID169483769
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile
SMILESN#CC=Cc1ccc(O)c([N+](=O)[O-])n1
InChIInChI=1S/C8H5N3O3/c9-5-1-2-6-3-4-7(12)8(10-6)11(13)14/h1-4,12H
InChIKeyCCXPBAMRPASJGF-UHFFFAOYSA-N
XLogP1.23
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-(5-hydroxy-6-nitro-2-pyridinyl)but-3-enyl]carbamate
CID 170494416
3-(6-formyl-2-pyridinyl)prop-2-enenitrile
CID 169483263
3-chloro-1-(5-hydroxy-6-nitro-2-pyridinyl)propane-1,2-diol
CID 171862433
6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
CID 162441518
(2E,4E)-5-(4-nitrophenyl)penta-2,4-dienenitrile
CID 15061744
methyl 3-(2-cyanoethenyl)-4-nitrobenzoate
CID 75108336
ethyl 2-(5-hydroxy-6-nitro-2-pyridinyl)acetate
CID 133096630
3-(5-nitrothiophen-3-yl)prop-2-enenitrile
CID 76913714
(E)-3-(2,5-difluoro-4-nitrophenyl)prop-2-enenitrile
CID 142393352
3-methyl-2-nitro-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74888779
3-(5-chloro-2-hydroxyphenyl)prop-2-enenitrile
CID 169483116
3-(2-cyanoethenyl)-5-nitrobenzonitrile
CID 169483975

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile?
The IUPAC name of 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile (CID 169483769) is 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile?
The canonical SMILES for 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile is N#CC=Cc1ccc(O)c([N+](=O)[O-])n1.
What is the InChIKey of 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile?
The InChIKey is CCXPBAMRPASJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c9-5-1-2-6-3-4-7(12)8(10-6)11(13)14/h1-4,12H.
What are the key properties of 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile?
3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile has a molecular weight of 191.15 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-6-nitro-2-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 169483769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).