4,6-dichloro-2-pyridin-2-ylpyrimidine

C9H5Cl2N3 — CID 12057465

IUPAC4,6-dichloro-2-pyridin-2-ylpyrimidine
SMILESClc1cc(Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C9H5Cl2N3/c10-7-5-8(11)14-9(13-7)6-3-1-2-4-12-6/h1-5H
InChIKeyNBAPGMJZRHWJAA-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.85
Rot. Bonds1

About 4,6-dichloro-2-pyridin-2-ylpyrimidine

4,6-dichloro-2-pyridin-2-ylpyrimidine (PubChem CID 12057465) has the molecular formula C9H5Cl2N3 and a molecular weight of 226.07 g/mol. Its IUPAC name is 4,6-dichloro-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-pyridin-2-ylpyrimidine
PubChem CID12057465
Molecular FormulaC9H5Cl2N3
Molecular Weight226.07 g/mol
Exact Mass224.99
IUPAC Name4,6-dichloro-2-pyridin-2-ylpyrimidine
SMILESClc1cc(Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C9H5Cl2N3/c10-7-5-8(11)14-9(13-7)6-3-1-2-4-12-6/h1-5H
InChIKeyNBAPGMJZRHWJAA-UHFFFAOYSA-N
XLogP2.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-2-pyridin-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-pyridin-2-ylpyrimidine (CID 12057465) is 4,6-dichloro-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-pyridin-2-ylpyrimidine is Clc1cc(Cl)nc(-c2ccccn2)n1.
What is the InChIKey of 4,6-dichloro-2-pyridin-2-ylpyrimidine?
The InChIKey is NBAPGMJZRHWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3/c10-7-5-8(11)14-9(13-7)6-3-1-2-4-12-6/h1-5H.
What are the key properties of 4,6-dichloro-2-pyridin-2-ylpyrimidine?
4,6-dichloro-2-pyridin-2-ylpyrimidine has a molecular weight of 226.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 12057465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).