3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride

C9H11Cl2N3 — CID 119106449

IUPAC3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cccnc2)cn1
InChIInChI=1S/C9H9N3.2ClH/c1-12-7-9(6-11-12)8-3-2-4-10-5-8;;/h2-7H,1H3;2*1H
InChIKeyWIGMOQLXMVIIFM-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.33
Rot. Bonds1

About 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride

3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride (PubChem CID 119106449) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
PubChem CID119106449
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cccnc2)cn1
InChIInChI=1S/C9H9N3.2ClH/c1-12-7-9(6-11-12)8-3-2-4-10-5-8;;/h2-7H,1H3;2*1H
InChIKeyWIGMOQLXMVIIFM-UHFFFAOYSA-N
XLogP2.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride?
The IUPAC name of 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride (CID 119106449) is 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride is Cl.Cl.Cn1cc(-c2cccnc2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride?
The InChIKey is WIGMOQLXMVIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2ClH/c1-12-7-9(6-11-12)8-3-2-4-10-5-8;;/h2-7H,1H3;2*1H.
What are the key properties of 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride?
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride is sourced from PubChem (CID 119106449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).