2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine

C10H8ClFN4O — CID 171627470

IUPAC2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
SMILESFc1cnc(Cl)nc1-c1cnn(C2COC2)c1
InChIInChI=1S/C10H8ClFN4O/c11-10-13-2-8(12)9(15-10)6-1-14-16(3-6)7-4-17-5-7/h1-3,7H,4-5H2
InChIKeyPWPRNFUZBPYXFI-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.70
Rot. Bonds2

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

2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine (PubChem CID 171627470) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
PubChem CID171627470
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
SMILESFc1cnc(Cl)nc1-c1cnn(C2COC2)c1
InChIInChI=1S/C10H8ClFN4O/c11-10-13-2-8(12)9(15-10)6-1-14-16(3-6)7-4-17-5-7/h1-3,7H,4-5H2
InChIKeyPWPRNFUZBPYXFI-UHFFFAOYSA-N
XLogP1.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine (CID 171627470) is 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine is Fc1cnc(Cl)nc1-c1cnn(C2COC2)c1.
What is the InChIKey of 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine?
The InChIKey is PWPRNFUZBPYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-10-13-2-8(12)9(15-10)6-1-14-16(3-6)7-4-17-5-7/h1-3,7H,4-5H2.
What are the key properties of 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine?
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine has a molecular weight of 254.65 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 171627470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).