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

C14H10BrF2N3O — CID 162004488

IUPAC1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2cc(Br)cc(OC(F)F)c2)c2ncccc12
InChIInChI=1S/C14H10BrF2N3O/c1-8-12-3-2-4-18-13(12)20(19-8)10-5-9(15)6-11(7-10)21-14(16)17/h2-7,14H,1H3
InChIKeyYSQLOVIANCZYBK-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.09
Rot. Bonds3

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

1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 162004488) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine
PubChem CID162004488
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2cc(Br)cc(OC(F)F)c2)c2ncccc12
InChIInChI=1S/C14H10BrF2N3O/c1-8-12-3-2-4-18-13(12)20(19-8)10-5-9(15)6-11(7-10)21-14(16)17/h2-7,14H,1H3
InChIKeyYSQLOVIANCZYBK-UHFFFAOYSA-N
XLogP4.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine (CID 162004488) is 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(-c2cc(Br)cc(OC(F)F)c2)c2ncccc12.
What is the InChIKey of 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is YSQLOVIANCZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-8-12-3-2-4-18-13(12)20(19-8)10-5-9(15)6-11(7-10)21-14(16)17/h2-7,14H,1H3.
What are the key properties of 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine?
1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 354.15 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(difluoromethoxy)phenyl]-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 162004488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).