(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol

C7H5BrN2OS — CID 175939673

IUPAC(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol
SMILESOCc1cc(Br)nc2scnc12
InChIInChI=1S/C7H5BrN2OS/c8-5-1-4(2-11)6-7(10-5)12-3-9-6/h1,3,11H,2H2
InChIKeySCSLRPVMIDFYSD-UHFFFAOYSA-N
MW245.10 g/mol
LogP1.95
Rot. Bonds1

About (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol

(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol (PubChem CID 175939673) has the molecular formula C7H5BrN2OS and a molecular weight of 245.10 g/mol. Its IUPAC name is (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol.

Molecular Properties

Compound Name(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol
PubChem CID175939673
Molecular FormulaC7H5BrN2OS
Molecular Weight245.10 g/mol
Exact Mass243.93
IUPAC Name(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol
SMILESOCc1cc(Br)nc2scnc12
InChIInChI=1S/C7H5BrN2OS/c8-5-1-4(2-11)6-7(10-5)12-3-9-6/h1,3,11H,2H2
InChIKeySCSLRPVMIDFYSD-UHFFFAOYSA-N
XLogP1.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,3-benzothiazol-4-ylmethanol
CID 84652179
7-bromo-5-chloro-[1,3]thiazolo[5,4-b]pyridine
CID 168966810
5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine
CID 166928411
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
5-methoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 151212590
5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 83828889
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
CID 71467179
5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 166928332
4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridine
CID 58570410
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
CID 137332786
5,7-ditert-butyl-[1,3]thiazolo[5,4-b]pyridine
CID 159647449

Frequently Asked Questions

What is the IUPAC name of (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol?
The IUPAC name of (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol (CID 175939673) is (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol.
What is the SMILES notation for (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol?
The canonical SMILES for (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol is OCc1cc(Br)nc2scnc12.
What is the InChIKey of (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol?
The InChIKey is SCSLRPVMIDFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS/c8-5-1-4(2-11)6-7(10-5)12-3-9-6/h1,3,11H,2H2.
What are the key properties of (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol?
(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol has a molecular weight of 245.10 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol is sourced from PubChem (CID 175939673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).