1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline

C16H9ClF2N4 — CID 73387739

IUPAC1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline
SMILESCn1nc(-c2ccccc2Cl)c2c3cc(F)cc(F)c3nnc21
InChIInChI=1S/C16H9ClF2N4/c1-23-16-13(15(22-23)9-4-2-3-5-11(9)17)10-6-8(18)7-12(19)14(10)20-21-16/h2-7H,1H3
InChIKeyJMVKQPJFAFIGHI-UHFFFAOYSA-N
MW330.73 g/mol
LogP4.12
Rot. Bonds1

About 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline

1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline (PubChem CID 73387739) has the molecular formula C16H9ClF2N4 and a molecular weight of 330.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline
PubChem CID73387739
Molecular FormulaC16H9ClF2N4
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline
SMILESCn1nc(-c2ccccc2Cl)c2c3cc(F)cc(F)c3nnc21
InChIInChI=1S/C16H9ClF2N4/c1-23-16-13(15(22-23)9-4-2-3-5-11(9)17)10-6-8(18)7-12(19)14(10)20-21-16/h2-7H,1H3
InChIKeyJMVKQPJFAFIGHI-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline?
The IUPAC name of 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline (CID 73387739) is 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline.
What is the SMILES notation for 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline?
The canonical SMILES for 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline is Cn1nc(-c2ccccc2Cl)c2c3cc(F)cc(F)c3nnc21.
What is the InChIKey of 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline?
The InChIKey is JMVKQPJFAFIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4/c1-23-16-13(15(22-23)9-4-2-3-5-11(9)17)10-6-8(18)7-12(19)14(10)20-21-16/h2-7H,1H3.
What are the key properties of 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline?
1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline has a molecular weight of 330.73 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline is sourced from PubChem (CID 73387739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).