2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol

C12H7BrN2OS — CID 142487607

IUPAC2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol
SMILESOc1ccccc1-c1nnc(Br)c2cscc12
InChIInChI=1S/C12H7BrN2OS/c13-12-9-6-17-5-8(9)11(14-15-12)7-3-1-2-4-10(7)16/h1-6,16H
InChIKeyLFSSBRLVQSWYJI-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.83
Rot. Bonds1

About 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol

2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol (PubChem CID 142487607) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol.

Molecular Properties

Compound Name2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol
PubChem CID142487607
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol
SMILESOc1ccccc1-c1nnc(Br)c2cscc12
InChIInChI=1S/C12H7BrN2OS/c13-12-9-6-17-5-8(9)11(14-15-12)7-3-1-2-4-10(7)16/h1-6,16H
InChIKeyLFSSBRLVQSWYJI-UHFFFAOYSA-N
XLogP3.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-Chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol
CID 142487398
2-(4-Chloro-3-fluorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenol
CID 176205104
2-(4-Chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenol
CID 176205146
3,4-Diphenylthieno[2,3-c]pyridazin-5-ol
CID 6401461
2-{4-Chlorothieno[2,3-d]pyridazin-7-yl}phenol
CID 142487413
4-Bromo-1-[2-(2-methoxyethoxy)phenyl]thieno[3,4-d]pyridazine
CID 142487469
CID 166127899
CID 166127899
CID 166127930
CID 166127930
CID 166127969
CID 166127969
2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol
CID 166127984
CID 166128030
CID 166128030
2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol
CID 166128032

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol?
The IUPAC name of 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol (CID 142487607) is 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol.
What is the SMILES notation for 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol?
The canonical SMILES for 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol is Oc1ccccc1-c1nnc(Br)c2cscc12.
What is the InChIKey of 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol?
The InChIKey is LFSSBRLVQSWYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-12-9-6-17-5-8(9)11(14-15-12)7-3-1-2-4-10(7)16/h1-6,16H.
What are the key properties of 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol?
2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol has a molecular weight of 307.17 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothieno[3,4-d]pyridazin-1-yl)phenol is sourced from PubChem (CID 142487607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).