(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile

C8H5BrN2 — CID 13092350

IUPAC(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(Br)=C/c1ccncc1
InChIInChI=1S/C8H5BrN2/c9-8(6-10)5-7-1-3-11-4-2-7/h1-5H/b8-5-
InChIKeyUZCTUFGJBXHZOB-YVMONPNESA-N
MW209.05 g/mol
LogP2.34
Rot. Bonds1

About (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile

(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile (PubChem CID 13092350) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile
PubChem CID13092350
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(Br)=C/c1ccncc1
InChIInChI=1S/C8H5BrN2/c9-8(6-10)5-7-1-3-11-4-2-7/h1-5H/b8-5-
InChIKeyUZCTUFGJBXHZOB-YVMONPNESA-N
XLogP2.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile (CID 13092350) is (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile is N#C/C(Br)=C/c1ccncc1.
What is the InChIKey of (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile?
The InChIKey is UZCTUFGJBXHZOB-YVMONPNESA-N. The full InChI is InChI=1S/C8H5BrN2/c9-8(6-10)5-7-1-3-11-4-2-7/h1-5H/b8-5-.
What are the key properties of (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile?
(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile has a molecular weight of 209.05 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 13092350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).