5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride

C10H13Cl2N3 — CID 131711526

IUPAC5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride
SMILESCCn1nc(C)c2cc(CCl)cnc21.Cl
InChIInChI=1S/C10H12ClN3.ClH/c1-3-14-10-9(7(2)13-14)4-8(5-11)6-12-10;/h4,6H,3,5H2,1-2H3;1H
InChIKeyQADONDWZGBAUOG-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.92
Rot. Bonds2

About 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride

5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride (PubChem CID 131711526) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride
PubChem CID131711526
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride
SMILESCCn1nc(C)c2cc(CCl)cnc21.Cl
InChIInChI=1S/C10H12ClN3.ClH/c1-3-14-10-9(7(2)13-14)4-8(5-11)6-12-10;/h4,6H,3,5H2,1-2H3;1H
InChIKeyQADONDWZGBAUOG-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine
CID 21315240
4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
CID 89190838
3-methyl-1-(2-methylpropyl)-5-pyridin-4-ylpyrazolo[5,4-b]pyridine
CID 20507725
1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine
CID 130348871
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 90122617
3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 163564236
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
CID 62404398
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-[[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
CID 63772919
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine
CID 62403177

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride (CID 131711526) is 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride is CCn1nc(C)c2cc(CCl)cnc21.Cl.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride?
The InChIKey is QADONDWZGBAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3.ClH/c1-3-14-10-9(7(2)13-14)4-8(5-11)6-12-10;/h4,6H,3,5H2,1-2H3;1H.
What are the key properties of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride?
5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride has a molecular weight of 246.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine;hydrochloride is sourced from PubChem (CID 131711526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).