1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C15H11ClF3N3 — CID 23608231

IUPAC1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C15H11ClF3N3/c1-8-7-10(15(17,18)19)13-9(2)21-22(14(13)20-8)12-6-4-3-5-11(12)16/h3-7H,1-2H3
InChIKeyVPNIOYZSGMXGTR-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.71
Rot. Bonds1

About 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 23608231) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID23608231
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C15H11ClF3N3/c1-8-7-10(15(17,18)19)13-9(2)21-22(14(13)20-8)12-6-4-3-5-11(12)16/h3-7H,1-2H3
InChIKeyVPNIOYZSGMXGTR-UHFFFAOYSA-N
XLogP4.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 23608231) is 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is Cc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3Cl)c2n1.
What is the InChIKey of 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is VPNIOYZSGMXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c1-8-7-10(15(17,18)19)13-9(2)21-22(14(13)20-8)12-6-4-3-5-11(12)16/h3-7H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 325.72 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 23608231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).