4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

C16H9Cl2FN4 — CID 22320139

IUPAC4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3cc(Cl)c(F)cc3c(Cl)c12
InChIInChI=1S/C16H9Cl2FN4/c1-8-14-15(18)9-6-11(19)10(17)7-12(9)21-16(14)23(22-8)13-4-2-3-5-20-13/h2-7H,1H3
InChIKeyGGVKPZBVJZHUDF-UHFFFAOYSA-N
MW347.18 g/mol
LogP4.72
Rot. Bonds1

About 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (PubChem CID 22320139) has the molecular formula C16H9Cl2FN4 and a molecular weight of 347.18 g/mol. Its IUPAC name is 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
PubChem CID22320139
Molecular FormulaC16H9Cl2FN4
Molecular Weight347.18 g/mol
Exact Mass346.02
IUPAC Name4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3cc(Cl)c(F)cc3c(Cl)c12
InChIInChI=1S/C16H9Cl2FN4/c1-8-14-15(18)9-6-11(19)10(17)7-12(9)21-16(14)23(22-8)13-4-2-3-5-20-13/h2-7H,1H3
InChIKeyGGVKPZBVJZHUDF-UHFFFAOYSA-N
XLogP4.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The IUPAC name of 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (CID 22320139) is 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is Cc1nn(-c2ccccn2)c2nc3cc(Cl)c(F)cc3c(Cl)c12.
What is the InChIKey of 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The InChIKey is GGVKPZBVJZHUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN4/c1-8-14-15(18)9-6-11(19)10(17)7-12(9)21-16(14)23(22-8)13-4-2-3-5-20-13/h2-7H,1H3.
What are the key properties of 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline has a molecular weight of 347.18 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-fluoro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22320139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).