2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one

C8H6ClN3O — CID 150556116

IUPAC2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1ncccc1Cl
InChIInChI=1S/C8H6ClN3O/c9-6-2-1-4-10-8(6)12-7(13)3-5-11-12/h1-5,11H
InChIKeyIIWLCPCIOXNHCD-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.21
Rot. Bonds1

About 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one

2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one (PubChem CID 150556116) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one
PubChem CID150556116
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1ncccc1Cl
InChIInChI=1S/C8H6ClN3O/c9-6-2-1-4-10-8(6)12-7(13)3-5-11-12/h1-5,11H
InChIKeyIIWLCPCIOXNHCD-UHFFFAOYSA-N
XLogP1.21
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one (CID 150556116) is 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one is O=c1cc[nH]n1-c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one?
The InChIKey is IIWLCPCIOXNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-6-2-1-4-10-8(6)12-7(13)3-5-11-12/h1-5,11H.
What are the key properties of 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one?
2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one has a molecular weight of 195.61 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-1H-pyrazol-3-one is sourced from PubChem (CID 150556116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).