1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine

C12H10Cl3N5O — CID 175137361

IUPAC1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine
SMILESClc1nccnc1Cl.O=C1CCN(c2ncccc2Cl)N1
InChIInChI=1S/C8H8ClN3O.C4H2Cl2N2/c9-6-2-1-4-10-8(6)12-5-3-7(13)11-12;5-3-4(6)8-2-1-7-3/h1-2,4H,3,5H2,(H,11,13);1-2H
InChIKeyKMIXVRAGOSVECY-UHFFFAOYSA-N
MW346.61 g/mol
LogP2.76
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine

1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine (PubChem CID 175137361) has the molecular formula C12H10Cl3N5O and a molecular weight of 346.61 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine
PubChem CID175137361
Molecular FormulaC12H10Cl3N5O
Molecular Weight346.61 g/mol
Exact Mass345.00
IUPAC Name1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine
SMILESClc1nccnc1Cl.O=C1CCN(c2ncccc2Cl)N1
InChIInChI=1S/C8H8ClN3O.C4H2Cl2N2/c9-6-2-1-4-10-8(6)12-5-3-7(13)11-12;5-3-4(6)8-2-1-7-3/h1-2,4H,3,5H2,(H,11,13);1-2H
InChIKeyKMIXVRAGOSVECY-UHFFFAOYSA-N
XLogP2.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-pyrazolidin-1-ylpyridine
CID 130989901
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1-[(2-chloro-3-pyridinyl)sulfonyl]-1,4-diazepan-5-one
CID 63004443
2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one
CID 150556116
azane;2,3-dichloropyridine
CID 174689212
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
sodium;1-phenylpyrazolidin-3-one;bromide
CID 157299139
1-(1,3-thiazol-2-yl)pyrazolidin-3-one
CID 13081778
1-(3-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride
CID 69359259
3-chloro-2-(3-methylazetidin-1-yl)pyridine
CID 103094608
1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione
CID 83813700
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine (CID 175137361) is 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine is Clc1nccnc1Cl.O=C1CCN(c2ncccc2Cl)N1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine?
The InChIKey is KMIXVRAGOSVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O.C4H2Cl2N2/c9-6-2-1-4-10-8(6)12-5-3-7(13)11-12;5-3-4(6)8-2-1-7-3/h1-2,4H,3,5H2,(H,11,13);1-2H.
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine?
1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine has a molecular weight of 346.61 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrazolidin-3-one;2,3-dichloropyrazine is sourced from PubChem (CID 175137361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).