6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

C9H7BrN2O3 — CID 127255391

IUPAC6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1cc(Br)cn2ncc(C(=O)O)c12
InChIInChI=1S/C9H7BrN2O3/c1-15-7-2-5(10)4-12-8(7)6(3-11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBGKFALGNEKIVLS-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.80
Rot. Bonds2

About 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 127255391) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID127255391
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1cc(Br)cn2ncc(C(=O)O)c12
InChIInChI=1S/C9H7BrN2O3/c1-15-7-2-5(10)4-12-8(7)6(3-11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBGKFALGNEKIVLS-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 127255391) is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid is COc1cc(Br)cn2ncc(C(=O)O)c12.
What is the InChIKey of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is BGKFALGNEKIVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c1-15-7-2-5(10)4-12-8(7)6(3-11-12)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid?
6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 127255391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).