2-iodo-5-[(E)-2-nitroethenyl]pyridine

C7H5IN2O2 — CID 119082655

IUPAC2-iodo-5-[(E)-2-nitroethenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1ccc(I)nc1
InChIInChI=1S/C7H5IN2O2/c8-7-2-1-6(5-9-7)3-4-10(11)12/h1-5H/b4-3+
InChIKeyZDBGUZLAXMVZQN-ONEGZZNKSA-N
MW276.03 g/mol
LogP1.93
Rot. Bonds2

About 2-iodo-5-[(E)-2-nitroethenyl]pyridine

2-iodo-5-[(E)-2-nitroethenyl]pyridine (PubChem CID 119082655) has the molecular formula C7H5IN2O2 and a molecular weight of 276.03 g/mol. Its IUPAC name is 2-iodo-5-[(E)-2-nitroethenyl]pyridine.

Molecular Properties

Compound Name2-iodo-5-[(E)-2-nitroethenyl]pyridine
PubChem CID119082655
Molecular FormulaC7H5IN2O2
Molecular Weight276.03 g/mol
Exact Mass275.94
IUPAC Name2-iodo-5-[(E)-2-nitroethenyl]pyridine
SMILESO=[N+]([O-])/C=C/c1ccc(I)nc1
InChIInChI=1S/C7H5IN2O2/c8-7-2-1-6(5-9-7)3-4-10(11)12/h1-5H/b4-3+
InChIKeyZDBGUZLAXMVZQN-ONEGZZNKSA-N
XLogP1.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

2-methoxy-5-(2-nitroethenyl)pyridine
CID 67230839
5-(2-nitroethenyl)-2-phenylmethoxypyridine
CID 66707987
3-iodo-5-[(E)-2-nitroethenyl]pyridine
CID 119082652
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
4-[(Z)-2-nitroethenyl]phenol
CID 15311368
1-ethyl-4-[(E)-2-nitroethenyl]benzene
CID 50853072
1-(2-nitroethenyl)-4-[2-[2-[2-[4-(2-nitroethenyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 123651558
1-(methoxymethyl)-4-(2-nitroethenyl)benzene
CID 77098902
3-iodo-7-(2-nitroethenyl)imidazo[1,2-a]pyridine
CID 68596388
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-[(E)-2-nitroethenyl]-4-[4-[(E)-2-nitroethenyl]phenyl]sulfonylbenzene
CID 173225544

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[(E)-2-nitroethenyl]pyridine?
The IUPAC name of 2-iodo-5-[(E)-2-nitroethenyl]pyridine (CID 119082655) is 2-iodo-5-[(E)-2-nitroethenyl]pyridine.
What is the SMILES notation for 2-iodo-5-[(E)-2-nitroethenyl]pyridine?
The canonical SMILES for 2-iodo-5-[(E)-2-nitroethenyl]pyridine is O=[N+]([O-])/C=C/c1ccc(I)nc1.
What is the InChIKey of 2-iodo-5-[(E)-2-nitroethenyl]pyridine?
The InChIKey is ZDBGUZLAXMVZQN-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H5IN2O2/c8-7-2-1-6(5-9-7)3-4-10(11)12/h1-5H/b4-3+.
What are the key properties of 2-iodo-5-[(E)-2-nitroethenyl]pyridine?
2-iodo-5-[(E)-2-nitroethenyl]pyridine has a molecular weight of 276.03 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[(E)-2-nitroethenyl]pyridine is sourced from PubChem (CID 119082655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).