2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine

C8H6ClFN4O — CID 81341658

IUPAC2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine
SMILESCc1cc(Oc2nc(Cl)ncc2F)n[nH]1
InChIInChI=1S/C8H6ClFN4O/c1-4-2-6(14-13-4)15-7-5(10)3-11-8(9)12-7/h2-3H,1H3,(H,13,14)
InChIKeyDVAPZQMCPJWWLC-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine

2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine (PubChem CID 81341658) has the molecular formula C8H6ClFN4O and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine
PubChem CID81341658
Molecular FormulaC8H6ClFN4O
Molecular Weight228.61 g/mol
Exact Mass228.02
IUPAC Name2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine
SMILESCc1cc(Oc2nc(Cl)ncc2F)n[nH]1
InChIInChI=1S/C8H6ClFN4O/c1-4-2-6(14-13-4)15-7-5(10)3-11-8(9)12-7/h2-3H,1H3,(H,13,14)
InChIKeyDVAPZQMCPJWWLC-UHFFFAOYSA-N
XLogP2.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine (CID 81341658) is 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine is Cc1cc(Oc2nc(Cl)ncc2F)n[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine?
The InChIKey is DVAPZQMCPJWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O/c1-4-2-6(14-13-4)15-7-5(10)3-11-8(9)12-7/h2-3H,1H3,(H,13,14).
What are the key properties of 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine?
2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine has a molecular weight of 228.61 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine is sourced from PubChem (CID 81341658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).