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

C13H7BrClN3O2 — CID 105393304

IUPAC3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nnc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C13H7BrClN3O2/c14-9-3-1-2-7(4-9)11-16-17-12-10(15)5-8(13(19)20)6-18(11)12/h1-6H,(H,19,20)
InChIKeyODSCSQDUJVAYNI-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.51
Rot. Bonds2

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

3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 105393304) has the molecular formula C13H7BrClN3O2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID105393304
Molecular FormulaC13H7BrClN3O2
Molecular Weight352.58 g/mol
Exact Mass350.94
IUPAC Name3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nnc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C13H7BrClN3O2/c14-9-3-1-2-7(4-9)11-16-17-12-10(15)5-8(13(19)20)6-18(11)12/h1-6H,(H,19,20)
InChIKeyODSCSQDUJVAYNI-UHFFFAOYSA-N
XLogP3.51
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-bromo-3-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393354
3-(5-bromo-2-methylphenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393347
3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114021782
8-chloro-3-(3-chloro-2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393296
8-chloro-3-(2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393487
3-(2-bromo-4-fluorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393517
8-chloro-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393289
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
8-chloro-3-(2,5-dihydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136903971
8-chloro-3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393470
8-chloro-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393330

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 105393304) is 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nnc(-c3cccc(Br)c3)n2c1.
What is the InChIKey of 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is ODSCSQDUJVAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O2/c14-9-3-1-2-7(4-9)11-16-17-12-10(15)5-8(13(19)20)6-18(11)12/h1-6H,(H,19,20).
What are the key properties of 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 352.58 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 105393304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).