4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine

C8H8ClN3 — CID 67501802

IUPAC4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine
SMILESCCc1[nH]nc2nccc(Cl)c12
InChIInChI=1S/C8H8ClN3/c1-2-6-7-5(9)3-4-10-8(7)12-11-6/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyRSOGLSFAQKGHCU-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.17
Rot. Bonds1

About 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine

4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 67501802) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine
PubChem CID67501802
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine
SMILESCCc1[nH]nc2nccc(Cl)c12
InChIInChI=1S/C8H8ClN3/c1-2-6-7-5(9)3-4-10-8(7)12-11-6/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyRSOGLSFAQKGHCU-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327827
3-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327835
4-N-(3-chlorophenyl)-3-N-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327836
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844
3-(4-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
4-Benzylamino-3-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327848
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
2-(3-(3-chloro-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-2-methylbutan-1-amine
CID 42633778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine (CID 67501802) is 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine is CCc1[nH]nc2nccc(Cl)c12.
What is the InChIKey of 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is RSOGLSFAQKGHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-2-6-7-5(9)3-4-10-8(7)12-11-6/h3-4H,2H2,1H3,(H,10,11,12).
What are the key properties of 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine?
4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 181.63 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67501802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).