2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium

C14H12Cl2N3+ — CID 123570809

IUPAC2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium
SMILESCc1c[n+](C)cc2cn(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C14H12Cl2N3/c1-9-6-18(2)7-10-8-19(17-13(9)10)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3/q+1
InChIKeySVNDRQRCACXUEK-UHFFFAOYSA-N
MW293.18 g/mol
LogP3.47
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium

2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium (PubChem CID 123570809) has the molecular formula C14H12Cl2N3+ and a molecular weight of 293.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium
PubChem CID123570809
Molecular FormulaC14H12Cl2N3+
Molecular Weight293.18 g/mol
Exact Mass292.04
IUPAC Name2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium
SMILESCc1c[n+](C)cc2cn(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C14H12Cl2N3/c1-9-6-18(2)7-10-8-19(17-13(9)10)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3/q+1
InChIKeySVNDRQRCACXUEK-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium?
The IUPAC name of 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium (CID 123570809) is 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium is Cc1c[n+](C)cc2cn(-c3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium?
The InChIKey is SVNDRQRCACXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N3/c1-9-6-18(2)7-10-8-19(17-13(9)10)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3/q+1.
What are the key properties of 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium?
2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium has a molecular weight of 293.18 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium is sourced from PubChem (CID 123570809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).