2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid

C14H9FN4O2 — CID 69173933

IUPAC2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid
SMILESN#Cc1cc(-c2ccnc3[nH]ncc23)ccc1F.O=CO
InChIInChI=1S/C13H7FN4.CH2O2/c14-12-2-1-8(5-9(12)6-15)10-3-4-16-13-11(10)7-17-18-13;2-1-3/h1-5,7H,(H,16,17,18);1H,(H,2,3)
InChIKeyYDJPBNVPOVTXGP-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.34
Rot. Bonds1

About 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid

2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid (PubChem CID 69173933) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid.

Molecular Properties

Compound Name2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid
PubChem CID69173933
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid
SMILESN#Cc1cc(-c2ccnc3[nH]ncc23)ccc1F.O=CO
InChIInChI=1S/C13H7FN4.CH2O2/c14-12-2-1-8(5-9(12)6-15)10-3-4-16-13-11(10)7-17-18-13;2-1-3/h1-5,7H,(H,16,17,18);1H,(H,2,3)
InChIKeyYDJPBNVPOVTXGP-UHFFFAOYSA-N
XLogP2.34
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
4-Phenyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine
CID 2764173
2-(3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-2-methylpropanenitrile
CID 42634832
2-methyl-2-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
CID 42635564
[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclobutyl]methanamine
CID 42635568
[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopentyl]methanamine
CID 42635569
2-methyl-2-[3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
CID 57969591
2-[3-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylbutan-1-amine
CID 57969629
2-(3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-2-methylbutanenitrile
CID 57969638
2-(3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-2-methylpropan-1-amine
CID 57969654
2-methyl-2-[3-propyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
CID 57969691
[1-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclohexyl]methanamine
CID 57969835

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid?
The IUPAC name of 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid (CID 69173933) is 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid.
What is the SMILES notation for 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid?
The canonical SMILES for 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid is N#Cc1cc(-c2ccnc3[nH]ncc23)ccc1F.O=CO.
What is the InChIKey of 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid?
The InChIKey is YDJPBNVPOVTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4.CH2O2/c14-12-2-1-8(5-9(12)6-15)10-3-4-16-13-11(10)7-17-18-13;2-1-3/h1-5,7H,(H,16,17,18);1H,(H,2,3).
What are the key properties of 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid?
2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid has a molecular weight of 284.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid is sourced from PubChem (CID 69173933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).