1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol

C12H9BrN2O — CID 169305037

IUPAC1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol
SMILESOC(=Cc1ccccn1)c1ccnc(Br)c1
InChIInChI=1S/C12H9BrN2O/c13-12-7-9(4-6-15-12)11(16)8-10-3-1-2-5-14-10/h1-8,16H
InChIKeyFNZUKPDLFPGIJR-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.30
Rot. Bonds2

About 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol

1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol (PubChem CID 169305037) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol
PubChem CID169305037
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol
SMILESOC(=Cc1ccccn1)c1ccnc(Br)c1
InChIInChI=1S/C12H9BrN2O/c13-12-7-9(4-6-15-12)11(16)8-10-3-1-2-5-14-10/h1-8,16H
InChIKeyFNZUKPDLFPGIJR-UHFFFAOYSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol?
The IUPAC name of 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol (CID 169305037) is 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol is OC(=Cc1ccccn1)c1ccnc(Br)c1.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol?
The InChIKey is FNZUKPDLFPGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-12-7-9(4-6-15-12)11(16)8-10-3-1-2-5-14-10/h1-8,16H.
What are the key properties of 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol?
1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol has a molecular weight of 277.12 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)-2-pyridin-2-ylethenol is sourced from PubChem (CID 169305037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).