(3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol

C15H15F2N3O2 — CID 171062169

IUPAC(3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc(OCc3ccc(F)c(F)c3)nn2)C1
InChIInChI=1S/C15H15F2N3O2/c16-12-2-1-10(7-13(12)17)9-22-15-4-3-14(18-19-15)20-6-5-11(21)8-20/h1-4,7,11,21H,5-6,8-9H2/t11-/m1/s1
InChIKeyWLAQQNBVYUPYCW-LLVKDONJSA-N
MW307.30 g/mol
LogP1.90
Rot. Bonds4

About (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol

(3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 171062169) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID171062169
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc(OCc3ccc(F)c(F)c3)nn2)C1
InChIInChI=1S/C15H15F2N3O2/c16-12-2-1-10(7-13(12)17)9-22-15-4-3-14(18-19-15)20-6-5-11(21)8-20/h1-4,7,11,21H,5-6,8-9H2/t11-/m1/s1
InChIKeyWLAQQNBVYUPYCW-LLVKDONJSA-N
XLogP1.90
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol
CID 171062182
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[5-bromo-2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-3-ol
CID 171062201
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95897732
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 154580855
1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
CID 102551317
(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272
1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972911
1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
CID 166663553

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol (CID 171062169) is (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2ccc(OCc3ccc(F)c(F)c3)nn2)C1.
What is the InChIKey of (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is WLAQQNBVYUPYCW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-12-2-1-10(7-13(12)17)9-22-15-4-3-14(18-19-15)20-6-5-11(21)8-20/h1-4,7,11,21H,5-6,8-9H2/t11-/m1/s1.
What are the key properties of (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol?
(3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 307.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[(3,4-difluorophenyl)methoxy]pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 171062169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).