4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine

C12H9ClIN3 — CID 66292880

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
SMILESClc1nc(-c2ccccn2)nc(C2CC2)c1I
InChIInChI=1S/C12H9ClIN3/c13-11-9(14)10(7-4-5-7)16-12(17-11)8-3-1-2-6-15-8/h1-3,6-7H,4-5H2
InChIKeyOTDVLSXZEONIRO-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine (PubChem CID 66292880) has the molecular formula C12H9ClIN3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
PubChem CID66292880
Molecular FormulaC12H9ClIN3
Molecular Weight357.58 g/mol
Exact Mass356.95
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
SMILESClc1nc(-c2ccccn2)nc(C2CC2)c1I
InChIInChI=1S/C12H9ClIN3/c13-11-9(14)10(7-4-5-7)16-12(17-11)8-3-1-2-6-15-8/h1-3,6-7H,4-5H2
InChIKeyOTDVLSXZEONIRO-UHFFFAOYSA-N
XLogP3.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.67
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-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine (CID 66292880) is 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine is Clc1nc(-c2ccccn2)nc(C2CC2)c1I.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine?
The InChIKey is OTDVLSXZEONIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3/c13-11-9(14)10(7-4-5-7)16-12(17-11)8-3-1-2-6-15-8/h1-3,6-7H,4-5H2.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine has a molecular weight of 357.58 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 66292880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).