4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine

C7H6ClN3 — CID 23242575

IUPAC4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-4-6-5(11-10-4)2-3-9-7(6)8/h2-3H,1H3,(H,10,11)
InChIKeyKDNYASYYYCLBOA-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine

4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 23242575) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine
PubChem CID23242575
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine
SMILESCc1[nH]nc2ccnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-4-6-5(11-10-4)2-3-9-7(6)8/h2-3H,1H3,(H,10,11)
InChIKeyKDNYASYYYCLBOA-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine (CID 23242575) is 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine is Cc1[nH]nc2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is KDNYASYYYCLBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-4-6-5(11-10-4)2-3-9-7(6)8/h2-3H,1H3,(H,10,11).
What are the key properties of 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine?
4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 167.60 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 23242575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).