4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one

C15H14Cl2FN3O — CID 94556952

IUPAC4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CN1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FN3O/c16-12-8-19-21(15(22)14(12)17)9-20-6-2-5-13(20)10-3-1-4-11(18)7-10/h1,3-4,7-8,13H,2,5-6,9H2/t13-/m1/s1
InChIKeyRCWMFBJCPGGFSG-CYBMUJFWSA-N
MW342.20 g/mol
LogP3.48
Rot. Bonds3

About 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one

4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one (PubChem CID 94556952) has the molecular formula C15H14Cl2FN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one
PubChem CID94556952
Molecular FormulaC15H14Cl2FN3O
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CN1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FN3O/c16-12-8-19-21(15(22)14(12)17)9-20-6-2-5-13(20)10-3-1-4-11(18)7-10/h1,3-4,7-8,13H,2,5-6,9H2/t13-/m1/s1
InChIKeyRCWMFBJCPGGFSG-CYBMUJFWSA-N
XLogP3.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
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1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
6-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136822027
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperidine
CID 99935057
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47078017
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one (CID 94556952) is 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CN1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
The InChIKey is RCWMFBJCPGGFSG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O/c16-12-8-19-21(15(22)14(12)17)9-20-6-2-5-13(20)10-3-1-4-11(18)7-10/h1,3-4,7-8,13H,2,5-6,9H2/t13-/m1/s1.
What are the key properties of 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one has a molecular weight of 342.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 94556952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).