1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate

C14H7BrF2N3O3- — CID 154071828

IUPAC1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESO=C([O-])c1nn(-c2cc(Br)cc(OC(F)F)c2)c2ncccc12
InChIInChI=1S/C14H8BrF2N3O3/c15-7-4-8(6-9(5-7)23-14(16)17)20-12-10(2-1-3-18-12)11(19-20)13(21)22/h1-6,14H,(H,21,22)/p-1
InChIKeyFFFRPEJPEHHOSS-UHFFFAOYSA-M
MW383.13 g/mol
LogP2.15
Rot. Bonds4

About 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate

1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 154071828) has the molecular formula C14H7BrF2N3O3- and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Name1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID154071828
Molecular FormulaC14H7BrF2N3O3-
Molecular Weight383.13 g/mol
Exact Mass381.96
IUPAC Name1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESO=C([O-])c1nn(-c2cc(Br)cc(OC(F)F)c2)c2ncccc12
InChIInChI=1S/C14H8BrF2N3O3/c15-7-4-8(6-9(5-7)23-14(16)17)20-12-10(2-1-3-18-12)11(19-20)13(21)22/h1-6,14H,(H,21,22)/p-1
InChIKeyFFFRPEJPEHHOSS-UHFFFAOYSA-M
XLogP2.15
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.13
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate (CID 154071828) is 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate is O=C([O-])c1nn(-c2cc(Br)cc(OC(F)F)c2)c2ncccc12.
What is the InChIKey of 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is FFFRPEJPEHHOSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8BrF2N3O3/c15-7-4-8(6-9(5-7)23-14(16)17)20-12-10(2-1-3-18-12)11(19-20)13(21)22/h1-6,14H,(H,21,22)/p-1.
What are the key properties of 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 383.13 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(difluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 154071828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).