3-fluoro-4H-pyrazolo[3,4-b]quinoline

C10H6FN3 — CID 141232777

IUPAC3-fluoro-4H-pyrazolo[3,4-b]quinoline
SMILESFC1=C2Cc3ccccc3N=C2N=N1
InChIInChI=1S/C10H6FN3/c11-9-7-5-6-3-1-2-4-8(6)12-10(7)14-13-9/h1-4H,5H2
InChIKeyAUTSUUKFXIBOCV-UHFFFAOYSA-N
MW187.18 g/mol
LogP2.92
Rot. Bonds

About 3-fluoro-4H-pyrazolo[3,4-b]quinoline

3-fluoro-4H-pyrazolo[3,4-b]quinoline (PubChem CID 141232777) has the molecular formula C10H6FN3 and a molecular weight of 187.18 g/mol. Its IUPAC name is 3-fluoro-4H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name3-fluoro-4H-pyrazolo[3,4-b]quinoline
PubChem CID141232777
Molecular FormulaC10H6FN3
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name3-fluoro-4H-pyrazolo[3,4-b]quinoline
SMILESFC1=C2Cc3ccccc3N=C2N=N1
InChIInChI=1S/C10H6FN3/c11-9-7-5-6-3-1-2-4-8(6)12-10(7)14-13-9/h1-4H,5H2
InChIKeyAUTSUUKFXIBOCV-UHFFFAOYSA-N
XLogP2.92
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3H-indole
CID 174790270
CID 20813056
CID 20813056
pentafluoro(3H-indol-2-yl)-λ6-sulfane
CID 158591346
3H-indole-2-carbonitrile
CID 66725406
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
2-iodo-4H-quinolin-3-one
CID 133059316
benzene;ethane;2-phenyl-3H-indole
CID 91573421
1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine
CID 59163627
1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
CID 170003747
4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline
CID 141402166
acetic acid;2-methyl-3H-indole
CID 123241059
2-(3H-pyrrol-2-yl)-3H-indole
CID 58491277

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 3-fluoro-4H-pyrazolo[3,4-b]quinoline (CID 141232777) is 3-fluoro-4H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 3-fluoro-4H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 3-fluoro-4H-pyrazolo[3,4-b]quinoline is FC1=C2Cc3ccccc3N=C2N=N1.
What is the InChIKey of 3-fluoro-4H-pyrazolo[3,4-b]quinoline?
The InChIKey is AUTSUUKFXIBOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3/c11-9-7-5-6-3-1-2-4-8(6)12-10(7)14-13-9/h1-4H,5H2.
What are the key properties of 3-fluoro-4H-pyrazolo[3,4-b]quinoline?
3-fluoro-4H-pyrazolo[3,4-b]quinoline has a molecular weight of 187.18 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 141232777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).