[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol

C9H11ClFN3O — CID 79081347

IUPAC[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C9H11ClFN3O/c10-9-12-4-7(11)8(13-9)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2
InChIKeyILOBCYSWRZFVEI-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.23
Rot. Bonds2

About [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 79081347) has the molecular formula C9H11ClFN3O and a molecular weight of 231.66 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID79081347
Molecular FormulaC9H11ClFN3O
Molecular Weight231.66 g/mol
Exact Mass231.06
IUPAC Name[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C9H11ClFN3O/c10-9-12-4-7(11)8(13-9)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2
InChIKeyILOBCYSWRZFVEI-UHFFFAOYSA-N
XLogP1.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 79081347) is [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(Cl)ncc1F.
What is the InChIKey of [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is ILOBCYSWRZFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3O/c10-9-12-4-7(11)8(13-9)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2.
What are the key properties of [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 231.66 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79081347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).