7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane

C10H10BrFN2O2 — CID 153371953

IUPAC7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cnn2c(Br)ccc(F)c12
InChIInChI=1S/C8H4BrFN2O2.C2H6/c9-6-2-1-5(10)7-4(8(13)14)3-11-12(6)7;1-2/h1-3H,(H,13,14);1-2H3
InChIKeyKNQSUOLSNVEKMF-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.96
Rot. Bonds1

About 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane

7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane (PubChem CID 153371953) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane
PubChem CID153371953
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC Name7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cnn2c(Br)ccc(F)c12
InChIInChI=1S/C8H4BrFN2O2.C2H6/c9-6-2-1-5(10)7-4(8(13)14)3-11-12(6)7;1-2/h1-3H,(H,13,14);1-2H3
InChIKeyKNQSUOLSNVEKMF-UHFFFAOYSA-N
XLogP2.96
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane?
The IUPAC name of 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane (CID 153371953) is 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane is CC.O=C(O)c1cnn2c(Br)ccc(F)c12.
What is the InChIKey of 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane?
The InChIKey is KNQSUOLSNVEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2.C2H6/c9-6-2-1-5(10)7-4(8(13)14)3-11-12(6)7;1-2/h1-3H,(H,13,14);1-2H3.
What are the key properties of 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane?
7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane has a molecular weight of 289.10 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 153371953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).