HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

(4-Bromophenyl)(pyridin-3-yl)methanol

HCID 13282976
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OC(c1ccc(Br)cc1)c1cccnc1
InChIKey
QPNDEHPTNNQRTR-UHFFFAOYSA-N
Molecular formula
C12H10BrNO
Average molar mass
264.12 g/mol
Monoisotopic mass
262.99458

Names & identifiers

Preferred name
(4-Bromophenyl)(pyridin-3-yl)methanol
IUPAC
(4-bromophenyl)-pyridin-3-ylmethanol

Names & synonyms

63779-12-4alpha-(4-Bromophenyl)-3-pyridinemethanol(4-bromophenyl)(pyridin-3-yl)methanolSCHEMBL1000233QPNDEHPTNNQRTR-UHFFFAOYSA-NMFCD12784037a-(4-Bromophenyl)-3-pyridinemethanol|A-(4-Bromophenyl)-3-pyridinemethanolDA-04118

Database identifiers

PubChem CID
13282976

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
192

Related reactions

5 records
New reaction record
HRID 251795 reaction equation
HRID 251795As productuspto-grants-2011_01
HRID 1180394 reaction equation
HRID 1180394As productuspto-grants-2007_10
HRID 1180395 reaction equation
HRID 1180395As reactantuspto-grants-2007_10
HRID 2129415 reaction equation
HRID 2129415As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2346438 reaction equation
HRID 2346438As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes