4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine

C13H11Cl2NO — CID 105067739

IUPAC4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
SMILESCc1ccc(Cl)cc1Oc1cnccc1CCl
InChIInChI=1S/C13H11Cl2NO/c1-9-2-3-11(15)6-12(9)17-13-8-16-5-4-10(13)7-14/h2-6,8H,7H2,1H3
InChIKeyPZRPOCMWXAKVQQ-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.57
Rot. Bonds3

About 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine

4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine (PubChem CID 105067739) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
PubChem CID105067739
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
SMILESCc1ccc(Cl)cc1Oc1cnccc1CCl
InChIInChI=1S/C13H11Cl2NO/c1-9-2-3-11(15)6-12(9)17-13-8-16-5-4-10(13)7-14/h2-6,8H,7H2,1H3
InChIKeyPZRPOCMWXAKVQQ-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
CID 105067653
2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
CID 80628036
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
N-[[3-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075221
4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105067086
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
4-(chloromethyl)-3-(3-ethylphenoxy)pyridine
CID 105067622
3-(4-bromophenoxy)-4-(chloromethyl)pyridine
CID 105067647

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine (CID 105067739) is 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine is Cc1ccc(Cl)cc1Oc1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine?
The InChIKey is PZRPOCMWXAKVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-2-3-11(15)6-12(9)17-13-8-16-5-4-10(13)7-14/h2-6,8H,7H2,1H3.
What are the key properties of 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine?
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine is sourced from PubChem (CID 105067739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).