1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol

C15H16BrN3O — CID 116972807

IUPAC1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
SMILESOC1CCCN(c2ccc(-c3ccccc3Br)nn2)C1
InChIInChI=1S/C15H16BrN3O/c16-13-6-2-1-5-12(13)14-7-8-15(18-17-14)19-9-3-4-11(20)10-19/h1-2,5-8,11,20H,3-4,9-10H2
InChIKeyBBLNRULPVTYPQG-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.87
Rot. Bonds2

About 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol

1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol (PubChem CID 116972807) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
PubChem CID116972807
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
SMILESOC1CCCN(c2ccc(-c3ccccc3Br)nn2)C1
InChIInChI=1S/C15H16BrN3O/c16-13-6-2-1-5-12(13)14-7-8-15(18-17-14)19-9-3-4-11(20)10-19/h1-2,5-8,11,20H,3-4,9-10H2
InChIKeyBBLNRULPVTYPQG-UHFFFAOYSA-N
XLogP2.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine
CID 116972688
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]piperidin-3-ol
CID 116972808
1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972898
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol?
The IUPAC name of 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol (CID 116972807) is 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol is OC1CCCN(c2ccc(-c3ccccc3Br)nn2)C1.
What is the InChIKey of 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol?
The InChIKey is BBLNRULPVTYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-6-2-1-5-12(13)14-7-8-15(18-17-14)19-9-3-4-11(20)10-19/h1-2,5-8,11,20H,3-4,9-10H2.
What are the key properties of 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol?
1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol has a molecular weight of 334.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol is sourced from PubChem (CID 116972807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).