1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium

C18H12BrClN3+ — CID 101249138

IUPAC1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium
SMILESClc1ccc(-c2nn(-c3ccc(Br)cc3)[n+]3ccccc23)cc1
InChIInChI=1S/C18H12BrClN3/c19-14-6-10-16(11-7-14)23-21-18(13-4-8-15(20)9-5-13)17-3-1-2-12-22(17)23/h1-12H/q+1
InChIKeyOGTUBOVYEQAFKR-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.69
Rot. Bonds2

About 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium

1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium (PubChem CID 101249138) has the molecular formula C18H12BrClN3+ and a molecular weight of 385.67 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium
PubChem CID101249138
Molecular FormulaC18H12BrClN3+
Molecular Weight385.67 g/mol
Exact Mass383.99
IUPAC Name1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium
SMILESClc1ccc(-c2nn(-c3ccc(Br)cc3)[n+]3ccccc23)cc1
InChIInChI=1S/C18H12BrClN3/c19-14-6-10-16(11-7-14)23-21-18(13-4-8-15(20)9-5-13)17-3-1-2-12-22(17)23/h1-12H/q+1
InChIKeyOGTUBOVYEQAFKR-UHFFFAOYSA-N
XLogP4.69
TPSA21.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
CID 83216722
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazolo[4,5-c]isoquinoline
CID 10812758
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 42624866
1-(4-chlorophenyl)-3,5-dimethyltriazolo[1,5-a]pyridin-8-ium
CID 2780787
1-bromo-4-chlorobenzene
CID 7806
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
2-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 53238894
5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118710853
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
4-(4-bromophenyl)-3-(4-chlorophenyl)-4,20-diaza-6-azoniapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene chloride
CID 170637520
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-N-methylpropanamide
CID 164628884

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium (CID 101249138) is 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium is Clc1ccc(-c2nn(-c3ccc(Br)cc3)[n+]3ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium?
The InChIKey is OGTUBOVYEQAFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN3/c19-14-6-10-16(11-7-14)23-21-18(13-4-8-15(20)9-5-13)17-3-1-2-12-22(17)23/h1-12H/q+1.
What are the key properties of 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium?
1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium has a molecular weight of 385.67 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-a]pyridin-8-ium is sourced from PubChem (CID 101249138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).