5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride

C10H9ClN3O+ — CID 58270505

IUPAC5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride
SMILESCc1[nH][n+](-c2cccnc2)cc1C(=O)Cl
InChIInChI=1S/C10H8ClN3O/c1-7-9(10(11)15)6-14(13-7)8-3-2-4-12-5-8/h2-6H,1H3/p+1
InChIKeyZLKHISKMGLIACZ-UHFFFAOYSA-O
MW222.66 g/mol
LogP1.37
Rot. Bonds2

About 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride

5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride (PubChem CID 58270505) has the molecular formula C10H9ClN3O+ and a molecular weight of 222.66 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride
PubChem CID58270505
Molecular FormulaC10H9ClN3O+
Molecular Weight222.66 g/mol
Exact Mass222.04
IUPAC Name5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride
SMILESCc1[nH][n+](-c2cccnc2)cc1C(=O)Cl
InChIInChI=1S/C10H8ClN3O/c1-7-9(10(11)15)6-14(13-7)8-3-2-4-12-5-8/h2-6H,1H3/p+1
InChIKeyZLKHISKMGLIACZ-UHFFFAOYSA-O
XLogP1.37
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.66
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 20784958
5-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5939922
5-methyl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6887544
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654637
N-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 70501112
N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 43398532
5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride
CID 2776434
1-Ethyl-3-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide
CID 3491502
5-methyl-1-phenyl-N-(pyridin-3-yl)-1H-pyrazole-4-carboxamide
CID 17464539
6-Methyl-N-(1h-pyrazol-4-yl)nicotinamide
CID 43429738

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride?
The IUPAC name of 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride (CID 58270505) is 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride.
What is the SMILES notation for 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride?
The canonical SMILES for 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride is Cc1[nH][n+](-c2cccnc2)cc1C(=O)Cl.
What is the InChIKey of 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride?
The InChIKey is ZLKHISKMGLIACZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8ClN3O/c1-7-9(10(11)15)6-14(13-7)8-3-2-4-12-5-8/h2-6H,1H3/p+1.
What are the key properties of 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride?
5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride has a molecular weight of 222.66 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-3-yl-1H-pyrazol-2-ium-4-carbonyl chloride is sourced from PubChem (CID 58270505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).