2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid

C9H6BrClN2O2 — CID 175276840

IUPAC2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCc1c(Cl)ccn2nc(Br)c(C(=O)O)c12
InChIInChI=1S/C9H6BrClN2O2/c1-4-5(11)2-3-13-7(4)6(9(14)15)8(10)12-13/h2-3H,1H3,(H,14,15)
InChIKeyDOOXVXCVFVDGIT-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.76
Rot. Bonds1

About 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid

2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 175276840) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID175276840
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Name2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCc1c(Cl)ccn2nc(Br)c(C(=O)O)c12
InChIInChI=1S/C9H6BrClN2O2/c1-4-5(11)2-3-13-7(4)6(9(14)15)8(10)12-13/h2-3H,1H3,(H,14,15)
InChIKeyDOOXVXCVFVDGIT-UHFFFAOYSA-N
XLogP2.76
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175276829
3-bromo-5-chloro-1-methylpyrazole-4-carboxylic acid
CID 83824721
5-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123135372
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
CID 84624653
5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
CID 83668119
3-chloro-2-methylindolizine-1-carboxylic acid
CID 174650392
(5-chloro-4-methylpyrazolo[1,5-a]pyridin-2-yl)methanol
CID 172915566
2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
CID 168844397
2,3-dibromo-5-chloropyridine-4-carboxylic acid
CID 154729339
2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
CID 84641441
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 175276840) is 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid is Cc1c(Cl)ccn2nc(Br)c(C(=O)O)c12.
What is the InChIKey of 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is DOOXVXCVFVDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-4-5(11)2-3-13-7(4)6(9(14)15)8(10)12-13/h2-3H,1H3,(H,14,15).
What are the key properties of 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 289.52 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 175276840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).