5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane

C9H11BrClN3 — CID 172573814

IUPAC5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane
SMILESCC.Cc1[nH]nc2c(Cl)nc(Br)cc12
InChIInChI=1S/C7H5BrClN3.C2H6/c1-3-4-2-5(8)10-7(9)6(4)12-11-3;1-2/h2H,1H3,(H,11,12);1-2H3
InChIKeyBLWNXDXFNKYPTM-UHFFFAOYSA-N
MW276.57 g/mol
LogP3.71
Rot. Bonds

About 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane

5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane (PubChem CID 172573814) has the molecular formula C9H11BrClN3 and a molecular weight of 276.57 g/mol. Its IUPAC name is 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane.

Molecular Properties

Compound Name5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane
PubChem CID172573814
Molecular FormulaC9H11BrClN3
Molecular Weight276.57 g/mol
Exact Mass274.98
IUPAC Name5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane
SMILESCC.Cc1[nH]nc2c(Cl)nc(Br)cc12
InChIInChI=1S/C7H5BrClN3.C2H6/c1-3-4-2-5(8)10-7(9)6(4)12-11-3;1-2/h2H,1H3,(H,11,12);1-2H3
InChIKeyBLWNXDXFNKYPTM-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3,7-dimethyl-2H-pyrazolo[3,4-c]pyridine;ethane
CID 172572756
5-bromo-3-methyl-2H-indazol-7-amine
CID 84690319
ethane;5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole
CID 178095860
5-bromo-7-tert-butyl-3-methyl-2H-indazole
CID 70869081
5-fluoro-6,7-dimethoxy-3-methyl-2H-indazole
CID 178095861
6,7-difluoro-3-methyl-2H-indazole;ethane;molecular hydrogen
CID 176569787
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane
CID 178095598
6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine
CID 90456846
6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805
7-fluoro-3,6-dimethyl-2H-indazole
CID 167575971
6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 46239636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane?
The IUPAC name of 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane (CID 172573814) is 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane.
What is the SMILES notation for 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane?
The canonical SMILES for 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane is CC.Cc1[nH]nc2c(Cl)nc(Br)cc12.
What is the InChIKey of 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane?
The InChIKey is BLWNXDXFNKYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3.C2H6/c1-3-4-2-5(8)10-7(9)6(4)12-11-3;1-2/h2H,1H3,(H,11,12);1-2H3.
What are the key properties of 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane?
5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane has a molecular weight of 276.57 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-3-methyl-2H-pyrazolo[3,4-c]pyridine;ethane is sourced from PubChem (CID 172573814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).