4-chloro-1-methylpyrazolo[3,4-b]pyridine

C7H6ClN3 — CID 46835638

IUPAC4-chloro-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(Cl)ccnc21
InChIInChI=1S/C7H6ClN3/c1-11-7-5(4-10-11)6(8)2-3-9-7/h2-4H,1H3
InChIKeyXYCQHBVGJNXHGP-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.62
Rot. Bonds

About 4-chloro-1-methylpyrazolo[3,4-b]pyridine

4-chloro-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 46835638) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-methylpyrazolo[3,4-b]pyridine
PubChem CID46835638
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(Cl)ccnc21
InChIInChI=1S/C7H6ClN3/c1-11-7-5(4-10-11)6(8)2-3-9-7/h2-4H,1H3
InChIKeyXYCQHBVGJNXHGP-UHFFFAOYSA-N
XLogP1.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
1-(4-chlorobenzyl)-N,N-diethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 895460
1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 7131393
1H-pyrazolo[3,4-b]pyridin-3-amine
CID 241369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-1-methylpyrazolo[3,4-b]pyridine (CID 46835638) is 4-chloro-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-1-methylpyrazolo[3,4-b]pyridine is Cn1ncc2c(Cl)ccnc21.
What is the InChIKey of 4-chloro-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is XYCQHBVGJNXHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-11-7-5(4-10-11)6(8)2-3-9-7/h2-4H,1H3.
What are the key properties of 4-chloro-1-methylpyrazolo[3,4-b]pyridine?
4-chloro-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 167.60 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 46835638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).