4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine

C5HCl2FN4 — CID 129319260

IUPAC4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine
SMILESFc1[nH]nc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C5HCl2FN4/c6-2-1-3(8)11-12-4(1)10-5(7)9-2/h(H,9,10,11,12)
InChIKeyYTEARNHEYAEGRQ-UHFFFAOYSA-N
MW207.00 g/mol
LogP1.80
Rot. Bonds

About 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine

4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 129319260) has the molecular formula C5HCl2FN4 and a molecular weight of 207.00 g/mol. Its IUPAC name is 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID129319260
Molecular FormulaC5HCl2FN4
Molecular Weight207.00 g/mol
Exact Mass205.96
IUPAC Name4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine
SMILESFc1[nH]nc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C5HCl2FN4/c6-2-1-3(8)11-12-4(1)10-5(7)9-2/h(H,9,10,11,12)
InChIKeyYTEARNHEYAEGRQ-UHFFFAOYSA-N
XLogP1.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 12066449
6-Amino-3-bromo-4-chloropyrazolo[3,4-D]pyrimidine
CID 51341934
4-chloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 56932112
3,4,6-trichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 92133085
3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 122164349
4-chloro-6-fluoro-1H-pyrazolo[5,4-d]pyrimidine
CID 176255768
4,6-Dichloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 76847038
3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381068
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-3-fluoro-
CID 129968566
4-Chloro-3-fluoro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 129968572
3-Chloro-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 18451679
3-Iodo-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 18451680

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine (CID 129319260) is 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine is Fc1[nH]nc2nc(Cl)nc(Cl)c12.
What is the InChIKey of 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is YTEARNHEYAEGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2FN4/c6-2-1-3(8)11-12-4(1)10-5(7)9-2/h(H,9,10,11,12).
What are the key properties of 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine?
4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 207.00 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-fluoro-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 129319260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).