3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese

C16H14Cl2MnN6O2 — CID 159468023

IUPAC3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese
SMILESClC1=NN(c2cccnc2)CC1.Clc1ccn(-c2cccnc2)n1.O=[Mn]=O
InChIInChI=1S/C8H8ClN3.C8H6ClN3.Mn.2O/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;;/h1-2,4,6H,3,5H2;1-6H;;;
InChIKeyOQMAOENOXTYMPF-UHFFFAOYSA-N
MW448.17 g/mol
LogP3.52
Rot. Bonds2

About 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese

3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese (PubChem CID 159468023) has the molecular formula C16H14Cl2MnN6O2 and a molecular weight of 448.17 g/mol. Its IUPAC name is 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese.

Molecular Properties

Compound Name3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese
PubChem CID159468023
Molecular FormulaC16H14Cl2MnN6O2
Molecular Weight448.17 g/mol
Exact Mass446.99
IUPAC Name3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese
SMILESClC1=NN(c2cccnc2)CC1.Clc1ccn(-c2cccnc2)n1.O=[Mn]=O
InChIInChI=1S/C8H8ClN3.C8H6ClN3.Mn.2O/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;;/h1-2,4,6H,3,5H2;1-6H;;;
InChIKeyOQMAOENOXTYMPF-UHFFFAOYSA-N
XLogP3.52
TPSA93.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.17
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Pyridine, 3-(4-aminopyrazol-1-yl)-
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2-chloro-5-(1H-pyrazol-1-yl)pyridine
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Pyridine, 2-chloro-5-(3,5-dimethyl-1H-pyrazol-1-yl)-
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3-(3-chloro-4-nitro-1H-pyrazol-1-yl)pyridine
CID 67500148
2-Chloro-5-(4-chloropyrazol-1-yl)pyridine
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3-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridin-4-amine
CID 72104974

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese?
The IUPAC name of 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese (CID 159468023) is 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese.
What is the SMILES notation for 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese?
The canonical SMILES for 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese is ClC1=NN(c2cccnc2)CC1.Clc1ccn(-c2cccnc2)n1.O=[Mn]=O.
What is the InChIKey of 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese?
The InChIKey is OQMAOENOXTYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3.C8H6ClN3.Mn.2O/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;;/h1-2,4,6H,3,5H2;1-6H;;;.
What are the key properties of 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese?
3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese has a molecular weight of 448.17 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3,4-dihydropyrazol-2-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;dioxomanganese is sourced from PubChem (CID 159468023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).