4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol

C12H10Br2N2O2 — CID 161357526

IUPAC4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol
SMILESO=Cc1cc(Br)ccn1.OCc1cc(Br)ccn1
InChIInChI=1S/C6H6BrNO.C6H4BrNO/c2*7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2;1-4H
InChIKeyVOSUXDJHYORVCJ-UHFFFAOYSA-N
MW374.03 g/mol
LogP2.99
Rot. Bonds2

About 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol

4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol (PubChem CID 161357526) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol
PubChem CID161357526
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol
SMILESO=Cc1cc(Br)ccn1.OCc1cc(Br)ccn1
InChIInChI=1S/C6H6BrNO.C6H4BrNO/c2*7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2;1-4H
InChIKeyVOSUXDJHYORVCJ-UHFFFAOYSA-N
XLogP2.99
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol?
The IUPAC name of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol (CID 161357526) is 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol.
What is the SMILES notation for 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol?
The canonical SMILES for 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol is O=Cc1cc(Br)ccn1.OCc1cc(Br)ccn1.
What is the InChIKey of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol?
The InChIKey is VOSUXDJHYORVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.C6H4BrNO/c2*7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2;1-4H.
What are the key properties of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol?
4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol has a molecular weight of 374.03 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 161357526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).