5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol

C18H14Br2N2O2 — CID 160603404

IUPAC5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol
SMILESO=Cc1ccc(Br)cn1.OC(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C12H10BrNO.C6H4BrNO/c13-10-6-7-11(14-8-10)12(15)9-4-2-1-3-5-9;7-5-1-2-6(4-9)8-3-5/h1-8,12,15H;1-4H
InChIKeyREOLVZQBEKWARV-UHFFFAOYSA-N
MW450.13 g/mol
LogP4.58
Rot. Bonds3

About 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol

5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol (PubChem CID 160603404) has the molecular formula C18H14Br2N2O2 and a molecular weight of 450.13 g/mol. Its IUPAC name is 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol
PubChem CID160603404
Molecular FormulaC18H14Br2N2O2
Molecular Weight450.13 g/mol
Exact Mass447.94
IUPAC Name5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol
SMILESO=Cc1ccc(Br)cn1.OC(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C12H10BrNO.C6H4BrNO/c13-10-6-7-11(14-8-10)12(15)9-4-2-1-3-5-9;7-5-1-2-6(4-9)8-3-5/h1-8,12,15H;1-4H
InChIKeyREOLVZQBEKWARV-UHFFFAOYSA-N
XLogP4.58
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
CID 116505490
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 115606173
(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(R)-(7-bromoquinolin-2-yl)-phenylmethanol
CID 164671525
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
sodium (5-bromo-2-pyridinyl)-hydroxymethanesulfonate
CID 103574332

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol?
The IUPAC name of 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol (CID 160603404) is 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol.
What is the SMILES notation for 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol?
The canonical SMILES for 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol is O=Cc1ccc(Br)cn1.OC(c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol?
The InChIKey is REOLVZQBEKWARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO.C6H4BrNO/c13-10-6-7-11(14-8-10)12(15)9-4-2-1-3-5-9;7-5-1-2-6(4-9)8-3-5/h1-8,12,15H;1-4H.
What are the key properties of 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol?
5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol has a molecular weight of 450.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol is sourced from PubChem (CID 160603404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).