4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

C14H12Cl2N4O2 — CID 91255498

IUPAC4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILESCCC1=Nc2[nH]ncc2C(c2cccc(Cl)c2Cl)C1[N+](=O)[O-]
InChIInChI=1S/C14H12Cl2N4O2/c1-2-10-13(20(21)22)11(8-6-17-19-14(8)18-10)7-4-3-5-9(15)12(7)16/h3-6,11,13H,2H2,1H3,(H,17,19)
InChIKeyDFWSAVPFYJMSKJ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.99
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 91255498) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID91255498
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC Name4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILESCCC1=Nc2[nH]ncc2C(c2cccc(Cl)c2Cl)C1[N+](=O)[O-]
InChIInChI=1S/C14H12Cl2N4O2/c1-2-10-13(20(21)22)11(8-6-17-19-14(8)18-10)7-4-3-5-9(15)12(7)16/h3-6,11,13H,2H2,1H3,(H,17,19)
InChIKeyDFWSAVPFYJMSKJ-UHFFFAOYSA-N
XLogP3.99
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 91255498) is 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is CCC1=Nc2[nH]ncc2C(c2cccc(Cl)c2Cl)C1[N+](=O)[O-].
What is the InChIKey of 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is DFWSAVPFYJMSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c1-2-10-13(20(21)22)11(8-6-17-19-14(8)18-10)7-4-3-5-9(15)12(7)16/h3-6,11,13H,2H2,1H3,(H,17,19).
What are the key properties of 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 339.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 91255498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).