2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine

C8H9ClFN3 — CID 104606673

IUPAC2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(Cl)C2)nc1
InChIInChI=1S/C8H9ClFN3/c9-6-1-2-13(5-6)8-11-3-7(10)4-12-8/h3-4,6H,1-2,5H2
InChIKeyZELRROVKILVEPG-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.43
Rot. Bonds1

About 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine

2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine (PubChem CID 104606673) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
PubChem CID104606673
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(Cl)C2)nc1
InChIInChI=1S/C8H9ClFN3/c9-6-1-2-13(5-6)8-11-3-7(10)4-12-8/h3-4,6H,1-2,5H2
InChIKeyZELRROVKILVEPG-UHFFFAOYSA-N
XLogP1.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
S-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]thiohydroxylamine
CID 134532144
(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 134700702
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 104606421
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 103990084
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 104606397
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582481
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 175026112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine (CID 104606673) is 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine is Fc1cnc(N2CCC(Cl)C2)nc1.
What is the InChIKey of 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine?
The InChIKey is ZELRROVKILVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c9-6-1-2-13(5-6)8-11-3-7(10)4-12-8/h3-4,6H,1-2,5H2.
What are the key properties of 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine?
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine has a molecular weight of 201.63 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 104606673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).