3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine

C13H9ClFN3O — CID 134496975

IUPAC3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C13H9ClFN3O/c1-19-9-4-10(8-2-3-12(15)16-5-8)13-11(14)6-17-18(13)7-9/h2-7H,1H3
InChIKeyFIIPFUXKGOQDAO-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.20
Rot. Bonds2

About 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine

3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine (PubChem CID 134496975) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine
PubChem CID134496975
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C13H9ClFN3O/c1-19-9-4-10(8-2-3-12(15)16-5-8)13-11(14)6-17-18(13)7-9/h2-7H,1H3
InChIKeyFIIPFUXKGOQDAO-UHFFFAOYSA-N
XLogP3.20
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine?
The IUPAC name of 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine (CID 134496975) is 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine is COc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine?
The InChIKey is FIIPFUXKGOQDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c1-19-9-4-10(8-2-3-12(15)16-5-8)13-11(14)6-17-18(13)7-9/h2-7H,1H3.
What are the key properties of 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine?
3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine has a molecular weight of 277.69 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-fluoro-3-pyridinyl)-6-methoxypyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134496975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).