4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine

C14H12Cl2IN3 — CID 103443032

IUPAC4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
SMILESClc1cccnc1-c1nc(Cl)c(I)c(C2CCCC2)n1
InChIInChI=1S/C14H12Cl2IN3/c15-9-6-3-7-18-12(9)14-19-11(8-4-1-2-5-8)10(17)13(16)20-14/h3,6-8H,1-2,4-5H2
InChIKeyOFJMIJSXQAHZFB-UHFFFAOYSA-N
MW420.08 g/mol
LogP5.11
Rot. Bonds2

About 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine

4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine (PubChem CID 103443032) has the molecular formula C14H12Cl2IN3 and a molecular weight of 420.08 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
PubChem CID103443032
Molecular FormulaC14H12Cl2IN3
Molecular Weight420.08 g/mol
Exact Mass418.95
IUPAC Name4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
SMILESClc1cccnc1-c1nc(Cl)c(I)c(C2CCCC2)n1
InChIInChI=1S/C14H12Cl2IN3/c15-9-6-3-7-18-12(9)14-19-11(8-4-1-2-5-8)10(17)13(16)20-14/h3,6-8H,1-2,4-5H2
InChIKeyOFJMIJSXQAHZFB-UHFFFAOYSA-N
XLogP5.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.08
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine (CID 103443032) is 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine is Clc1cccnc1-c1nc(Cl)c(I)c(C2CCCC2)n1.
What is the InChIKey of 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine?
The InChIKey is OFJMIJSXQAHZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2IN3/c15-9-6-3-7-18-12(9)14-19-11(8-4-1-2-5-8)10(17)13(16)20-14/h3,6-8H,1-2,4-5H2.
What are the key properties of 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine?
4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine has a molecular weight of 420.08 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine is sourced from PubChem (CID 103443032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).