4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium

C10H10ClN3O — CID 151483517

IUPAC4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium
SMILESCc1c(Cl)cc[n+]([O-])c1-c1ccn(C)n1
InChIInChI=1S/C10H10ClN3O/c1-7-8(11)3-6-14(15)10(7)9-4-5-13(2)12-9/h3-6H,1-2H3
InChIKeyPMYRLWQQMFIRQG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.68
Rot. Bonds1

About 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium

4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium (PubChem CID 151483517) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium
PubChem CID151483517
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium
SMILESCc1c(Cl)cc[n+]([O-])c1-c1ccn(C)n1
InChIInChI=1S/C10H10ClN3O/c1-7-8(11)3-6-14(15)10(7)9-4-5-13(2)12-9/h3-6H,1-2H3
InChIKeyPMYRLWQQMFIRQG-UHFFFAOYSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium?
The IUPAC name of 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium (CID 151483517) is 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium.
What is the SMILES notation for 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium?
The canonical SMILES for 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium is Cc1c(Cl)cc[n+]([O-])c1-c1ccn(C)n1.
What is the InChIKey of 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium?
The InChIKey is PMYRLWQQMFIRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-8(11)3-6-14(15)10(7)9-4-5-13(2)12-9/h3-6H,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium?
4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium has a molecular weight of 223.66 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidopyridin-1-ium is sourced from PubChem (CID 151483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).