3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C14H9BrClN3O2 — CID 105393347

IUPAC3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1ccc(Br)cc1-c1nnc2c(Cl)cc(C(=O)O)cn12
InChIInChI=1S/C14H9BrClN3O2/c1-7-2-3-9(15)5-10(7)12-17-18-13-11(16)4-8(14(20)21)6-19(12)13/h2-6H,1H3,(H,20,21)
InChIKeyYXEBYDOZJLMDGO-UHFFFAOYSA-N
MW366.60 g/mol
LogP3.82
Rot. Bonds2

About 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 105393347) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID105393347
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Name3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1ccc(Br)cc1-c1nnc2c(Cl)cc(C(=O)O)cn12
InChIInChI=1S/C14H9BrClN3O2/c1-7-2-3-9(15)5-10(7)12-17-18-13-11(16)4-8(14(20)21)6-19(12)13/h2-6H,1H3,(H,20,21)
InChIKeyYXEBYDOZJLMDGO-UHFFFAOYSA-N
XLogP3.82
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-(3-bromo-4-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393432
3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393304
3-(4-bromo-3-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393354
8-chloro-3-(2,5-dihydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136903971
3-(2-bromo-4-fluorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393517
8-chloro-3-(2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393487
8-chloro-3-(3-chloro-2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393296
methyl 8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393557
3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114021782
3-(4-bromo-2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389315
methyl 3-(2-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393579
3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114375488

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 105393347) is 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is Cc1ccc(Br)cc1-c1nnc2c(Cl)cc(C(=O)O)cn12.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is YXEBYDOZJLMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2/c1-7-2-3-9(15)5-10(7)12-17-18-13-11(16)4-8(14(20)21)6-19(12)13/h2-6H,1H3,(H,20,21).
What are the key properties of 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 366.60 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 105393347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).