4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine

C6H3BrClN3 — CID 142474937

IUPAC4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine
SMILESClc1ncc2[nH]ncc2c1Br
InChIInChI=1S/C6H3BrClN3/c7-5-3-1-10-11-4(3)2-9-6(5)8/h1-2H,(H,10,11)
InChIKeyBKSLATOVQAGJIC-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.37
Rot. Bonds

About 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine

4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 142474937) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine
PubChem CID142474937
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine
SMILESClc1ncc2[nH]ncc2c1Br
InChIInChI=1S/C6H3BrClN3/c7-5-3-1-10-11-4(3)2-9-6(5)8/h1-2H,(H,10,11)
InChIKeyBKSLATOVQAGJIC-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.37
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

4-bromo-5,6-dichloro-1H-indazole
CID 139345853
4-bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
CID 142474950
4-bromo-6-chloro-1H-indazole-5-carbaldehyde
CID 171613711
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183
4-bromo-5-methoxy-1H-indazole
CID 46941913
5-chloro-4-iodo-6-methyl-1H-indazole
CID 176951364
4-bromo-6-methyl-1H-benzo[f]indazole
CID 170195977
4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine
CID 86717818
5-chloro-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 164538697
N-methyl-1H-pyrazolo[3,4-c]pyridin-4-amine
CID 169111831
sodium;4-chloro-1H-indazole;hydride
CID 175559887
4-bromospiro[6,7-dihydro-1H-cyclopenta[f]indazole-5,1'-cyclopropane]
CID 171568249

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine (CID 142474937) is 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine is Clc1ncc2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BKSLATOVQAGJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-5-3-1-10-11-4(3)2-9-6(5)8/h1-2H,(H,10,11).
What are the key properties of 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine?
4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 232.47 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 142474937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).