(7-bromoquinolin-4-yl)methanol

C10H8BrNO — CID 57139704

IUPAC(7-bromoquinolin-4-yl)methanol
SMILESOCc1ccnc2cc(Br)ccc12
InChIInChI=1S/C10H8BrNO/c11-8-1-2-9-7(6-13)3-4-12-10(9)5-8/h1-5,13H,6H2
InChIKeyGYAYDCSQJBXEQM-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.49
Rot. Bonds1

About (7-bromoquinolin-4-yl)methanol

(7-bromoquinolin-4-yl)methanol (PubChem CID 57139704) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is (7-bromoquinolin-4-yl)methanol.

Molecular Properties

Compound Name(7-bromoquinolin-4-yl)methanol
PubChem CID57139704
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name(7-bromoquinolin-4-yl)methanol
SMILESOCc1ccnc2cc(Br)ccc12
InChIInChI=1S/C10H8BrNO/c11-8-1-2-9-7(6-13)3-4-12-10(9)5-8/h1-5,13H,6H2
InChIKeyGYAYDCSQJBXEQM-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Hydroxymethylquinoline
CID 1514385
4-(Hydroxymethyl)quinoline
CID 80479
(Quinolin-3-yl)methanol
CID 12662983
[1-(4-bromobenzyl)-1H-indol-3-yl]methanol
CID 15881523
3-Quinolinemethanol, alpha-methyl-
CID 12415752
Quinolin-8-ylmethanol
CID 594412
[1-[(3-Bromophenyl)methyl]indol-3-yl]methanol
CID 15881522
[1-[(3,4-Dibromophenyl)methyl]indol-3-yl]methanol
CID 52951094
1-(Hydroxymethyl)isoquinoline
CID 2776247
7-Bromoquinoline-4-carboxylic acid
CID 18475615
(Quinolin-5-yl)methanol
CID 823080
2-[(5-Bromoquinolin-8-yl)methyl-ethylamino]ethanol
CID 84597505

Frequently Asked Questions

What is the IUPAC name of (7-bromoquinolin-4-yl)methanol?
The IUPAC name of (7-bromoquinolin-4-yl)methanol (CID 57139704) is (7-bromoquinolin-4-yl)methanol.
What is the SMILES notation for (7-bromoquinolin-4-yl)methanol?
The canonical SMILES for (7-bromoquinolin-4-yl)methanol is OCc1ccnc2cc(Br)ccc12.
What is the InChIKey of (7-bromoquinolin-4-yl)methanol?
The InChIKey is GYAYDCSQJBXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-8-1-2-9-7(6-13)3-4-12-10(9)5-8/h1-5,13H,6H2.
What are the key properties of (7-bromoquinolin-4-yl)methanol?
(7-bromoquinolin-4-yl)methanol has a molecular weight of 238.08 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromoquinolin-4-yl)methanol is sourced from PubChem (CID 57139704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).