3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine

C6H3BrClFN4 — CID 170992363

IUPAC3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(F)c(Cl)nc2c(Br)cnn12
InChIInChI=1S/C6H3BrClFN4/c7-2-1-11-13-5(10)3(9)4(8)12-6(2)13/h1H,10H2
InChIKeyJYRSCCZZRBWRLW-UHFFFAOYSA-N
MW265.47 g/mol
LogP1.87
Rot. Bonds

About 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170992363) has the molecular formula C6H3BrClFN4 and a molecular weight of 265.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170992363
Molecular FormulaC6H3BrClFN4
Molecular Weight265.47 g/mol
Exact Mass263.92
IUPAC Name3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(F)c(Cl)nc2c(Br)cnn12
InChIInChI=1S/C6H3BrClFN4/c7-2-1-11-13-5(10)3(9)4(8)12-6(2)13/h1H,10H2
InChIKeyJYRSCCZZRBWRLW-UHFFFAOYSA-N
XLogP1.87
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
CID 14750355
3-Bromo-7-chloropyrazolo(1,5-a)pyrimidine
CID 21897627
3-Bromo-5-chloropyrazolo(1,5-a)pyrimidine
CID 45480507
8-Bromopyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 82394100
8-Bromopyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 84049268
5,7-Dichloro-6-fluoropyrazolo[1,5-a]pyrimidine
CID 90135472
6-Bromo-3-chloropyrazolo(1,5-a)pyrimidine
CID 126455219
3-Bromo-6-fluoropyrazolo(1,5-a)pyrimidine
CID 129968891
5-Chloropyrazolo[1,5-a]pyrimidin-7-amine
CID 23131909
8-Bromopyrazolo[1,5-a][1,3,5]triazine
CID 85851497
5-Chloro-6-fluoropyrazolo[1,5-a]pyrimidine
CID 90135474
5-Chloro-6-fluoro-pyrazolo[1,5-a]pyrimidin-7-amine
CID 90135476

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine (CID 170992363) is 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(F)c(Cl)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JYRSCCZZRBWRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFN4/c7-2-1-11-13-5(10)3(9)4(8)12-6(2)13/h1H,10H2.
What are the key properties of 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 265.47 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170992363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).