5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine

C6H4ClFN4O — CID 154606929

IUPAC5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2c(F)[nH]nc12
InChIInChI=1S/C6H4ClFN4O/c1-13-5-3-2(4(8)12-11-3)9-6(7)10-5/h1H3,(H,11,12)
InChIKeyLYULDRLUTHQELU-UHFFFAOYSA-N
MW202.58 g/mol
LogP1.15
Rot. Bonds1

About 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine

5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 154606929) has the molecular formula C6H4ClFN4O and a molecular weight of 202.58 g/mol. Its IUPAC name is 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID154606929
Molecular FormulaC6H4ClFN4O
Molecular Weight202.58 g/mol
Exact Mass202.01
IUPAC Name5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2c(F)[nH]nc12
InChIInChI=1S/C6H4ClFN4O/c1-13-5-3-2(4(8)12-11-3)9-6(7)10-5/h1H3,(H,11,12)
InChIKeyLYULDRLUTHQELU-UHFFFAOYSA-N
XLogP1.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.58
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine (CID 154606929) is 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine is COc1nc(Cl)nc2c(F)[nH]nc12.
What is the InChIKey of 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is LYULDRLUTHQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN4O/c1-13-5-3-2(4(8)12-11-3)9-6(7)10-5/h1H3,(H,11,12).
What are the key properties of 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 202.58 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 154606929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).