2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine

C10H7Cl2N3 — CID 174452686

IUPAC2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine
SMILESClCc1ncnc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H7Cl2N3/c11-5-9-13-6-14-10(15-9)7-3-1-2-4-8(7)12/h1-4,6H,5H2
InChIKeyPIDWEGYKYXVFQR-UHFFFAOYSA-N
MW240.09 g/mol
LogP2.93
Rot. Bonds2

About 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine

2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine (PubChem CID 174452686) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine
PubChem CID174452686
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine
SMILESClCc1ncnc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H7Cl2N3/c11-5-9-13-6-14-10(15-9)7-3-1-2-4-8(7)12/h1-4,6H,5H2
InChIKeyPIDWEGYKYXVFQR-UHFFFAOYSA-N
XLogP2.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole
CID 15133747
4-bromo-2-(2-chlorophenyl)pyrimidine
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3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
1-chloro-N-(chloromethyl)methanamine;2-(2-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 126707772
4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 79153122
2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride
CID 150728133
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
2-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 83868891
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
CID 62755555
5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine
CID 62899049
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303127

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine (CID 174452686) is 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine is ClCc1ncnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine?
The InChIKey is PIDWEGYKYXVFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-5-9-13-6-14-10(15-9)7-3-1-2-4-8(7)12/h1-4,6H,5H2.
What are the key properties of 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine?
2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine has a molecular weight of 240.09 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine is sourced from PubChem (CID 174452686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).