4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline

C12H7ClF3N3 — CID 59320673

IUPAC4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
SMILESCn1cc2c(n1)c(Cl)nc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H7ClF3N3/c1-19-5-8-7-4-6(12(14,15)16)2-3-9(7)17-11(13)10(8)18-19/h2-5H,1H3
InChIKeyGBHMHDZYTWOPTC-UHFFFAOYSA-N
MW285.66 g/mol
LogP3.79
Rot. Bonds

About 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline

4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline (PubChem CID 59320673) has the molecular formula C12H7ClF3N3 and a molecular weight of 285.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
PubChem CID59320673
Molecular FormulaC12H7ClF3N3
Molecular Weight285.66 g/mol
Exact Mass285.03
IUPAC Name4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
SMILESCn1cc2c(n1)c(Cl)nc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H7ClF3N3/c1-19-5-8-7-4-6(12(14,15)16)2-3-9(7)17-11(13)10(8)18-19/h2-5H,1H3
InChIKeyGBHMHDZYTWOPTC-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
The IUPAC name of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline (CID 59320673) is 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
The canonical SMILES for 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline is Cn1cc2c(n1)c(Cl)nc1ccc(C(F)(F)F)cc12.
What is the InChIKey of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
The InChIKey is GBHMHDZYTWOPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3/c1-19-5-8-7-4-6(12(14,15)16)2-3-9(7)17-11(13)10(8)18-19/h2-5H,1H3.
What are the key properties of 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline?
4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline has a molecular weight of 285.66 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 59320673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).