(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

C14H10FN3O2 — CID 2094064

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1[nH]nc2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C14H10FN3O2/c1-7-10-4-8(6-16-14(10)18-17-7)13(20)11-5-9(15)2-3-12(11)19/h2-6,19H,1H3,(H,16,17,18)
InChIKeyYVRTXHDOYWNRHB-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.34
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 2094064) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID2094064
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1[nH]nc2ncc(C(=O)c3cc(F)ccc3O)cc12
InChIInChI=1S/C14H10FN3O2/c1-7-10-4-8(6-16-14(10)18-17-7)13(20)11-5-9(15)2-3-12(11)19/h2-6,19H,1H3,(H,16,17,18)
InChIKeyYVRTXHDOYWNRHB-UHFFFAOYSA-N
XLogP2.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (CID 2094064) is (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is Cc1[nH]nc2ncc(C(=O)c3cc(F)ccc3O)cc12.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is YVRTXHDOYWNRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-7-10-4-8(6-16-14(10)18-17-7)13(20)11-5-9(15)2-3-12(11)19/h2-6,19H,1H3,(H,16,17,18).
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 271.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 2094064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).