4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one

C9H10Cl2FN3O — CID 168964557

IUPAC4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@H]1CCNC[C@H]1F
InChIInChI=1S/C9H10Cl2FN3O/c10-5-3-14-15(9(16)8(5)11)7-1-2-13-4-6(7)12/h3,6-7,13H,1-2,4H2/t6-,7+/m1/s1
InChIKeySLGKYLUHFHRFGS-RQJHMYQMSA-N
MW266.10 g/mol
LogP1.42
Rot. Bonds1

About 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one

4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one (PubChem CID 168964557) has the molecular formula C9H10Cl2FN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one
PubChem CID168964557
Molecular FormulaC9H10Cl2FN3O
Molecular Weight266.10 g/mol
Exact Mass265.02
IUPAC Name4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@H]1CCNC[C@H]1F
InChIInChI=1S/C9H10Cl2FN3O/c10-5-3-14-15(9(16)8(5)11)7-1-2-13-4-6(7)12/h3,6-7,13H,1-2,4H2/t6-,7+/m1/s1
InChIKeySLGKYLUHFHRFGS-RQJHMYQMSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
CID 173110964
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine
CID 90455489
3,6-dichloro-9-[(4S)-3-fluoropiperidin-4-yl]carbazole
CID 144664156
(11R)-14-chloro-5-(3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155387104
(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine
CID 154809509
4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one
CID 171823808
1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 90103792
4,5-dichloro-2-(cyclohexanecarbonyl)pyridazin-3-one
CID 11357832
2-pyrrolidin-3-ylphthalazin-1-one
CID 82105279
1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole
CID 135273786
1-(6-chloro-2-methylpyrimidin-4-yl)-6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylindazole
CID 142404853

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one (CID 168964557) is 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1[C@H]1CCNC[C@H]1F.
What is the InChIKey of 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one?
The InChIKey is SLGKYLUHFHRFGS-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H10Cl2FN3O/c10-5-3-14-15(9(16)8(5)11)7-1-2-13-4-6(7)12/h3,6-7,13H,1-2,4H2/t6-,7+/m1/s1.
What are the key properties of 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one?
4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one has a molecular weight of 266.10 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(3R,4S)-3-fluoropiperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 168964557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).