3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C11H15ClFN3O — CID 79081092

IUPAC3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c12-11-14-7-9(13)10(15-11)16-5-1-3-8(16)4-2-6-17/h7-8,17H,1-6H2
InChIKeyQAFDGLPYLWPNCI-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.01
Rot. Bonds4

About 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 79081092) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID79081092
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c12-11-14-7-9(13)10(15-11)16-5-1-3-8(16)4-2-6-17/h7-8,17H,1-6H2
InChIKeyQAFDGLPYLWPNCI-UHFFFAOYSA-N
XLogP2.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 79081092) is 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is QAFDGLPYLWPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-11-14-7-9(13)10(15-11)16-5-1-3-8(16)4-2-6-17/h7-8,17H,1-6H2.
What are the key properties of 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 259.71 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 79081092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).