2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine

C11H5BrClFN4 — CID 90022008

IUPAC2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
SMILESFc1nc(-n2cc3cnc(Cl)cc3n2)ccc1Br
InChIInChI=1S/C11H5BrClFN4/c12-7-1-2-10(16-11(7)14)18-5-6-4-15-9(13)3-8(6)17-18/h1-5H
InChIKeyIKHBSABBTLYPSJ-UHFFFAOYSA-N
MW327.54 g/mol
LogP3.37
Rot. Bonds1

About 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine

2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine (PubChem CID 90022008) has the molecular formula C11H5BrClFN4 and a molecular weight of 327.54 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
PubChem CID90022008
Molecular FormulaC11H5BrClFN4
Molecular Weight327.54 g/mol
Exact Mass325.94
IUPAC Name2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
SMILESFc1nc(-n2cc3cnc(Cl)cc3n2)ccc1Br
InChIInChI=1S/C11H5BrClFN4/c12-7-1-2-10(16-11(7)14)18-5-6-4-15-9(13)3-8(6)17-18/h1-5H
InChIKeyIKHBSABBTLYPSJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloro-4-fluoro-phenyl)-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11681189
3-Bromo-6-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1478921
3-(2-chloropyridin-4-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53345685
1-(4-bromophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 11392731
3-Bromo-10-chloro-pyrimido[1,2-b]indazole
CID 162643815
3-{7-Chloro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}pyridine
CID 16768400
4-Chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine
CID 155933745
3-(4-Chloro-6-methyl-2-pyrimidinyl)-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine
CID 11544891
N-(6-chloro-3-pyridinyl)-6-(4-fluorophenyl)-1,3-dimethylpyrazolo[4,3-c]pyridin-4-amine
CID 11596553
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methylpyrazolo[4,3-c]pyridine
CID 19926093
3-Bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 21035733
3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067201

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine (CID 90022008) is 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine is Fc1nc(-n2cc3cnc(Cl)cc3n2)ccc1Br.
What is the InChIKey of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
The InChIKey is IKHBSABBTLYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN4/c12-7-1-2-10(16-11(7)14)18-5-6-4-15-9(13)3-8(6)17-18/h1-5H.
What are the key properties of 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine?
2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine has a molecular weight of 327.54 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 90022008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).