[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone

C10H9Cl3N2O2 — CID 66261197

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
SMILESO=C(c1ncc(Cl)c(Cl)c1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H9Cl3N2O2/c11-6-3-14-9(8(13)7(6)12)10(17)15-2-1-5(16)4-15/h3,5,16H,1-2,4H2/t5-/m1/s1
InChIKeyRAYCNQONRPJKNZ-RXMQYKEDSA-N
MW295.55 g/mol
LogP2.25
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone (PubChem CID 66261197) has the molecular formula C10H9Cl3N2O2 and a molecular weight of 295.55 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
PubChem CID66261197
Molecular FormulaC10H9Cl3N2O2
Molecular Weight295.55 g/mol
Exact Mass293.97
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
SMILESO=C(c1ncc(Cl)c(Cl)c1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C10H9Cl3N2O2/c11-6-3-14-9(8(13)7(6)12)10(17)15-2-1-5(16)4-15/h3,5,16H,1-2,4H2/t5-/m1/s1
InChIKeyRAYCNQONRPJKNZ-RXMQYKEDSA-N
XLogP2.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
CID 102785003
(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 136515626
(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 55032845
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone (CID 66261197) is [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone is O=C(c1ncc(Cl)c(Cl)c1Cl)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone?
The InChIKey is RAYCNQONRPJKNZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9Cl3N2O2/c11-6-3-14-9(8(13)7(6)12)10(17)15-2-1-5(16)4-15/h3,5,16H,1-2,4H2/t5-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone has a molecular weight of 295.55 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone is sourced from PubChem (CID 66261197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).