[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol

C13H9ClFN3O — CID 121416465

IUPAC[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
SMILESOCc1nc(Cl)cc2cnn(-c3ccc(F)cc3)c12
InChIInChI=1S/C13H9ClFN3O/c14-12-5-8-6-16-18(13(8)11(7-19)17-12)10-3-1-9(15)2-4-10/h1-6,19H,7H2
InChIKeyHCGNMALVBMFNRF-UHFFFAOYSA-N
MW277.69 g/mol
LogP2.71
Rot. Bonds2

About [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol

[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol (PubChem CID 121416465) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
PubChem CID121416465
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
SMILESOCc1nc(Cl)cc2cnn(-c3ccc(F)cc3)c12
InChIInChI=1S/C13H9ClFN3O/c14-12-5-8-6-16-18(13(8)11(7-19)17-12)10-3-1-9(15)2-4-10/h1-6,19H,7H2
InChIKeyHCGNMALVBMFNRF-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
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 [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol?
The IUPAC name of [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol (CID 121416465) is [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol.
What is the SMILES notation for [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol?
The canonical SMILES for [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol is OCc1nc(Cl)cc2cnn(-c3ccc(F)cc3)c12.
What is the InChIKey of [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol?
The InChIKey is HCGNMALVBMFNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-12-5-8-6-16-18(13(8)11(7-19)17-12)10-3-1-9(15)2-4-10/h1-6,19H,7H2.
What are the key properties of [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol?
[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol has a molecular weight of 277.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol is sourced from PubChem (CID 121416465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).