4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H9ClFN3 — CID 79722340

IUPAC4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)c3c(n2)CCC3)nc1
InChIInChI=1S/C12H9ClFN3/c13-11-8-2-1-3-9(8)16-12(17-11)10-5-4-7(14)6-15-10/h4-6H,1-3H2
InChIKeyMNQLKTMBJXBJNE-UHFFFAOYSA-N
MW249.68 g/mol
LogP2.82
Rot. Bonds1

About 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 79722340) has the molecular formula C12H9ClFN3 and a molecular weight of 249.68 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID79722340
Molecular FormulaC12H9ClFN3
Molecular Weight249.68 g/mol
Exact Mass249.05
IUPAC Name4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)c3c(n2)CCC3)nc1
InChIInChI=1S/C12H9ClFN3/c13-11-8-2-1-3-9(8)16-12(17-11)10-5-4-7(14)6-15-10/h4-6H,1-3H2
InChIKeyMNQLKTMBJXBJNE-UHFFFAOYSA-N
XLogP2.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 79722340) is 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1ccc(-c2nc(Cl)c3c(n2)CCC3)nc1.
What is the InChIKey of 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is MNQLKTMBJXBJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3/c13-11-8-2-1-3-9(8)16-12(17-11)10-5-4-7(14)6-15-10/h4-6H,1-3H2.
What are the key properties of 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 249.68 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 79722340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).