2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C12H5BrClF3N4 — CID 150932240

IUPAC2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1cc2nn(-c3nc(Cl)ccc3Br)cc2cn1
InChIInChI=1S/C12H5BrClF3N4/c13-7-1-2-10(14)19-11(7)21-5-6-4-18-9(12(15,16)17)3-8(6)20-21/h1-5H
InChIKeyLGGWIGCEZVZOQV-UHFFFAOYSA-N
MW377.55 g/mol
LogP4.25
Rot. Bonds1

About 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine

2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 150932240) has the molecular formula C12H5BrClF3N4 and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID150932240
Molecular FormulaC12H5BrClF3N4
Molecular Weight377.55 g/mol
Exact Mass375.93
IUPAC Name2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1cc2nn(-c3nc(Cl)ccc3Br)cc2cn1
InChIInChI=1S/C12H5BrClF3N4/c13-7-1-2-10(14)19-11(7)21-5-6-4-18-9(12(15,16)17)3-8(6)20-21/h1-5H
InChIKeyLGGWIGCEZVZOQV-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 54.25
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

6-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1478913
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
1-[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole
CID 130205858
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
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 1477084
6-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 1478920
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine
CID 4007023
5,7-Dichloro-6-[3-(trifluoromethyl)pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12137661

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 150932240) is 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine is FC(F)(F)c1cc2nn(-c3nc(Cl)ccc3Br)cc2cn1.
What is the InChIKey of 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is LGGWIGCEZVZOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClF3N4/c13-7-1-2-10(14)19-11(7)21-5-6-4-18-9(12(15,16)17)3-8(6)20-21/h1-5H.
What are the key properties of 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 377.55 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 150932240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).