[1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol

C14H11BrFN3O2 — CID 129155381

IUPAC[1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol
SMILESCOC(O)c1nn(-c2cccc(Br)c2)c2ncc(F)cc12
InChIInChI=1S/C14H11BrFN3O2/c1-21-14(20)12-11-6-9(16)7-17-13(11)19(18-12)10-4-2-3-8(15)5-10/h2-7,14,20H,1H3
InChIKeySNYMFFGTDUCGSK-UHFFFAOYSA-N
MW352.16 g/mol
LogP2.96
Rot. Bonds3

About [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol

[1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol (PubChem CID 129155381) has the molecular formula C14H11BrFN3O2 and a molecular weight of 352.16 g/mol. Its IUPAC name is [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol
PubChem CID129155381
Molecular FormulaC14H11BrFN3O2
Molecular Weight352.16 g/mol
Exact Mass351.00
IUPAC Name[1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol
SMILESCOC(O)c1nn(-c2cccc(Br)c2)c2ncc(F)cc12
InChIInChI=1S/C14H11BrFN3O2/c1-21-14(20)12-11-6-9(16)7-17-13(11)19(18-12)10-4-2-3-8(15)5-10/h2-7,14,20H,1H3
InChIKeySNYMFFGTDUCGSK-UHFFFAOYSA-N
XLogP2.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol?
The IUPAC name of [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol (CID 129155381) is [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol.
What is the SMILES notation for [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol?
The canonical SMILES for [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol is COC(O)c1nn(-c2cccc(Br)c2)c2ncc(F)cc12.
What is the InChIKey of [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol?
The InChIKey is SNYMFFGTDUCGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O2/c1-21-14(20)12-11-6-9(16)7-17-13(11)19(18-12)10-4-2-3-8(15)5-10/h2-7,14,20H,1H3.
What are the key properties of [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol?
[1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol has a molecular weight of 352.16 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-methoxymethanol is sourced from PubChem (CID 129155381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).