2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine

C13H12N2O2 — CID 70570621

IUPAC2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine
SMILESO=[N+]([O-])C1(/C=C/c2ccccc2)C=CC=CN1
InChIInChI=1S/C13H12N2O2/c16-15(17)13(9-4-5-11-14-13)10-8-12-6-2-1-3-7-12/h1-11,14H/b10-8+
InChIKeyAWHQMZOKPGLDNZ-CSKARUKUSA-N
MW228.25 g/mol
LogP2.35
Rot. Bonds3

About 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine

2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine (PubChem CID 70570621) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine.

Molecular Properties

Compound Name2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine
PubChem CID70570621
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine
SMILESO=[N+]([O-])C1(/C=C/c2ccccc2)C=CC=CN1
InChIInChI=1S/C13H12N2O2/c16-15(17)13(9-4-5-11-14-13)10-8-12-6-2-1-3-7-12/h1-11,14H/b10-8+
InChIKeyAWHQMZOKPGLDNZ-CSKARUKUSA-N
XLogP2.35
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 88669673
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1H-azepine;stilbene
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(1R)-6,6-dinitro-N-phenylcyclohexa-2,4-dien-1-amine
CID 124639754
1H-azepine;3-phenylprop-2-enoic acid
CID 174842198
N,N-dimethyl-1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 87199171
lithium 3-phenylprop-2-enoate
CID 67041801
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
barium(2+);bis(3-phenylprop-2-enoate)
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sodium (Z)-3-phenylprop-2-enoate
CID 23717933

Frequently Asked Questions

What is the IUPAC name of 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine?
The IUPAC name of 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine (CID 70570621) is 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine.
What is the SMILES notation for 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine?
The canonical SMILES for 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine is O=[N+]([O-])C1(/C=C/c2ccccc2)C=CC=CN1.
What is the InChIKey of 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine?
The InChIKey is AWHQMZOKPGLDNZ-CSKARUKUSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-15(17)13(9-4-5-11-14-13)10-8-12-6-2-1-3-7-12/h1-11,14H/b10-8+.
What are the key properties of 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine?
2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine has a molecular weight of 228.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-2-[(E)-2-phenylethenyl]-1H-pyridine is sourced from PubChem (CID 70570621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).