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

C13H11Cl2NO — CID 81234889

IUPAC3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
SMILESCc1ccc(Cl)c(Oc2ccncc2CCl)c1
InChIInChI=1S/C13H11Cl2NO/c1-9-2-3-11(15)13(6-9)17-12-4-5-16-8-10(12)7-14/h2-6,8H,7H2,1H3
InChIKeyZXMXSCUNVLQONI-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.57
Rot. Bonds3

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

3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine (PubChem CID 81234889) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
PubChem CID81234889
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
SMILESCc1ccc(Cl)c(Oc2ccncc2CCl)c1
InChIInChI=1S/C13H11Cl2NO/c1-9-2-3-11(15)13(6-9)17-12-4-5-16-8-10(12)7-14/h2-6,8H,7H2,1H3
InChIKeyZXMXSCUNVLQONI-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

3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
CID 81234048
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
CID 114060625
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine
CID 81234744
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
CID 81235555
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine (CID 81234889) is 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine is Cc1ccc(Cl)c(Oc2ccncc2CCl)c1.
What is the InChIKey of 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine?
The InChIKey is ZXMXSCUNVLQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-2-3-11(15)13(6-9)17-12-4-5-16-8-10(12)7-14/h2-6,8H,7H2,1H3.
What are the key properties of 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine?
3-(chloromethyl)-4-(2-chloro-5-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 3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine is sourced from PubChem (CID 81234889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).