[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol

C9H12FN3O — CID 71650035

IUPAC[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H12FN3O/c10-8-3-11-9(12-4-8)13-2-1-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2
InChIKeySBNSOKCQLMDFQU-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.43
Rot. Bonds2

About [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol

[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 71650035) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID71650035
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H12FN3O/c10-8-3-11-9(12-4-8)13-2-1-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2
InChIKeySBNSOKCQLMDFQU-UHFFFAOYSA-N
XLogP0.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol (CID 71650035) is [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is SBNSOKCQLMDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-3-11-9(12-4-8)13-2-1-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2.
What are the key properties of [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 197.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71650035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).