3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine

C13H9Cl4N — CID 165352055

IUPAC3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
SMILESCc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1CCl
InChIInChI=1S/C13H9Cl4N/c1-7-8(6-14)2-3-13(18-7)9-4-11(16)12(17)5-10(9)15/h2-5H,6H2,1H3
InChIKeyWEYJQEWWQQBCOQ-UHFFFAOYSA-N
MW321.03 g/mol
LogP5.76
Rot. Bonds2

About 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine

3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine (PubChem CID 165352055) has the molecular formula C13H9Cl4N and a molecular weight of 321.03 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
PubChem CID165352055
Molecular FormulaC13H9Cl4N
Molecular Weight321.03 g/mol
Exact Mass318.95
IUPAC Name3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
SMILESCc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1CCl
InChIInChI=1S/C13H9Cl4N/c1-7-8(6-14)2-3-13(18-7)9-4-11(16)12(17)5-10(9)15/h2-5H,6H2,1H3
InChIKeyWEYJQEWWQQBCOQ-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.03
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
CID 133086502
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134630403
6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
CID 134630402
3-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 59834815
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626981
3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
CID 130139788
5-(chloromethyl)-6-methyl-N,N-dipropylpyridin-2-amine
CID 79885420

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine (CID 165352055) is 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine is Cc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine?
The InChIKey is WEYJQEWWQQBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl4N/c1-7-8(6-14)2-3-13(18-7)9-4-11(16)12(17)5-10(9)15/h2-5H,6H2,1H3.
What are the key properties of 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine?
3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine has a molecular weight of 321.03 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 165352055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).