4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine

C10H7Cl2N3O — CID 107087552

IUPAC4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
SMILESClCc1c(Cl)ncnc1Oc1cccnc1
InChIInChI=1S/C10H7Cl2N3O/c11-4-8-9(12)14-6-15-10(8)16-7-2-1-3-13-5-7/h1-3,5-6H,4H2
InChIKeyMRMPNVFTQUJBEK-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine

4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine (PubChem CID 107087552) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
PubChem CID107087552
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
SMILESClCc1c(Cl)ncnc1Oc1cccnc1
InChIInChI=1S/C10H7Cl2N3O/c11-4-8-9(12)14-6-15-10(8)16-7-2-1-3-13-5-7/h1-3,5-6H,4H2
InChIKeyMRMPNVFTQUJBEK-UHFFFAOYSA-N
XLogP3.06
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
4-(3-tert-butylphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107087589
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
CID 107087736
3-(chloromethyl)-2-pyridin-3-yloxypyridine
CID 61268783
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
CID 107088182
2,3-dipyridin-3-yloxypyrazine
CID 139072759
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459
2,5-dichloro-4-pyridin-3-yloxypyrimidine
CID 79632979
4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19153291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine (CID 107087552) is 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine is ClCc1c(Cl)ncnc1Oc1cccnc1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine?
The InChIKey is MRMPNVFTQUJBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-4-8-9(12)14-6-15-10(8)16-7-2-1-3-13-5-7/h1-3,5-6H,4H2.
What are the key properties of 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine?
4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine has a molecular weight of 256.09 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine is sourced from PubChem (CID 107087552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).