6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C14H7BrCl2F3N3 — CID 118105176

IUPAC6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1nn(Cc2c(Cl)cccc2Cl)c2cc(Br)cnc12
InChIInChI=1S/C14H7BrCl2F3N3/c15-7-4-11-12(21-5-7)13(14(18,19)20)22-23(11)6-8-9(16)2-1-3-10(8)17/h1-5H,6H2
InChIKeyXPRKQAHFIMXJHC-UHFFFAOYSA-N
MW425.04 g/mol
LogP5.57
Rot. Bonds2

About 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine

6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 118105176) has the molecular formula C14H7BrCl2F3N3 and a molecular weight of 425.04 g/mol. Its IUPAC name is 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID118105176
Molecular FormulaC14H7BrCl2F3N3
Molecular Weight425.04 g/mol
Exact Mass422.92
IUPAC Name6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1nn(Cc2c(Cl)cccc2Cl)c2cc(Br)cnc12
InChIInChI=1S/C14H7BrCl2F3N3/c15-7-4-11-12(21-5-7)13(14(18,19)20)22-23(11)6-8-9(16)2-1-3-10(8)17/h1-5H,6H2
InChIKeyXPRKQAHFIMXJHC-UHFFFAOYSA-N
XLogP5.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.04
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 118105176) is 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine is FC(F)(F)c1nn(Cc2c(Cl)cccc2Cl)c2cc(Br)cnc12.
What is the InChIKey of 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is XPRKQAHFIMXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F3N3/c15-7-4-11-12(21-5-7)13(14(18,19)20)22-23(11)6-8-9(16)2-1-3-10(8)17/h1-5H,6H2.
What are the key properties of 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 425.04 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 118105176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).