2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine

C12H9ClFN3 — CID 58876902

IUPAC2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-c1cncc(C2CC2)c1
InChIInChI=1S/C12H9ClFN3/c13-12-16-6-10(14)11(17-12)9-3-8(4-15-5-9)7-1-2-7/h3-7H,1-2H2
InChIKeyDSRLZBGOLOHSAQ-UHFFFAOYSA-N
MW249.68 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine

2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine (PubChem CID 58876902) has the molecular formula C12H9ClFN3 and a molecular weight of 249.68 g/mol. Its IUPAC name is 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
PubChem CID58876902
Molecular FormulaC12H9ClFN3
Molecular Weight249.68 g/mol
Exact Mass249.05
IUPAC Name2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-c1cncc(C2CC2)c1
InChIInChI=1S/C12H9ClFN3/c13-12-16-6-10(14)11(17-12)9-3-8(4-15-5-9)7-1-2-7/h3-7H,1-2H2
InChIKeyDSRLZBGOLOHSAQ-UHFFFAOYSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine (CID 58876902) is 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine is Fc1cnc(Cl)nc1-c1cncc(C2CC2)c1.
What is the InChIKey of 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine?
The InChIKey is DSRLZBGOLOHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3/c13-12-16-6-10(14)11(17-12)9-3-8(4-15-5-9)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine?
2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine has a molecular weight of 249.68 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine is sourced from PubChem (CID 58876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).