3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine

C13H11ClN4O — CID 87171892

IUPAC3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine
SMILESCOc1nccc2c1c(-c1ccnc(Cl)c1)nn2C
InChIInChI=1S/C13H11ClN4O/c1-18-9-4-6-16-13(19-2)11(9)12(17-18)8-3-5-15-10(14)7-8/h3-7H,1-2H3
InChIKeyPHPICONXOMUFLR-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.69
Rot. Bonds2

About 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine

3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine (PubChem CID 87171892) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine
PubChem CID87171892
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine
SMILESCOc1nccc2c1c(-c1ccnc(Cl)c1)nn2C
InChIInChI=1S/C13H11ClN4O/c1-18-9-4-6-16-13(19-2)11(9)12(17-18)8-3-5-15-10(14)7-8/h3-7H,1-2H3
InChIKeyPHPICONXOMUFLR-UHFFFAOYSA-N
XLogP2.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine (CID 87171892) is 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine is COc1nccc2c1c(-c1ccnc(Cl)c1)nn2C.
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine?
The InChIKey is PHPICONXOMUFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-18-9-4-6-16-13(19-2)11(9)12(17-18)8-3-5-15-10(14)7-8/h3-7H,1-2H3.
What are the key properties of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine?
3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine has a molecular weight of 274.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 87171892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).