5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine

C6H2ClFN4O2 — CID 162355394

IUPAC5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1c(F)nn2ccc(Cl)nc12
InChIInChI=1S/C6H2ClFN4O2/c7-3-1-2-11-6(9-3)4(12(13)14)5(8)10-11/h1-2H
InChIKeyZZVPCRKKHXFCJB-UHFFFAOYSA-N
MW216.56 g/mol
LogP1.43
Rot. Bonds1

About 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine

5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 162355394) has the molecular formula C6H2ClFN4O2 and a molecular weight of 216.56 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine
PubChem CID162355394
Molecular FormulaC6H2ClFN4O2
Molecular Weight216.56 g/mol
Exact Mass215.99
IUPAC Name5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1c(F)nn2ccc(Cl)nc12
InChIInChI=1S/C6H2ClFN4O2/c7-3-1-2-11-6(9-3)4(12(13)14)5(8)10-11/h1-2H
InChIKeyZZVPCRKKHXFCJB-UHFFFAOYSA-N
XLogP1.43
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.56
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Bromo-3-nitropyrazolo[1,5-a]pyrimidine
CID 1276705
5-Chloro-3-nitropyrazolo[1,5-a]pyrimidine
CID 72207283
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
2-Trifluoromethyl-6-nitro-1,2,4-triazolo[1,5-a]pyrimidine
CID 14270102
5-Chloropyrazolo[1,5-A]pyrimidin-3-amine
CID 57415829
5-(Difluoromethyl)-3-nitropyrazolo[1,5-A]pyrimidine
CID 119056308
7-Chloro-3-fluoro-pyrazolo[1,5-a]pyrimidine
CID 129968895
5-Chloro-3-fluoro-pyrazolo[1,5-a]pyrimidine
CID 130047055
5-Chloro-2-fluoropyrazolo[1,5-a]pyrimidine
CID 134819151
5-Chloro-6-fluoro-3-nitropyrazolo[1,5-a]pyrimidine
CID 153525255
5-(3-Fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
CID 154969225

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine (CID 162355394) is 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1c(F)nn2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is ZZVPCRKKHXFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFN4O2/c7-3-1-2-11-6(9-3)4(12(13)14)5(8)10-11/h1-2H.
What are the key properties of 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine?
5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 216.56 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162355394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).