5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine

C14H13Cl2NO2 — CID 114921193

IUPAC5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
SMILESClCc1cc(OCCOc2ccccc2)ncc1Cl
InChIInChI=1S/C14H13Cl2NO2/c15-9-11-8-14(17-10-13(11)16)19-7-6-18-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2
InChIKeyPHTBASJYENQDJC-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.93
Rot. Bonds6

About 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine

5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine (PubChem CID 114921193) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
PubChem CID114921193
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
SMILESClCc1cc(OCCOc2ccccc2)ncc1Cl
InChIInChI=1S/C14H13Cl2NO2/c15-9-11-8-14(17-10-13(11)16)19-7-6-18-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2
InChIKeyPHTBASJYENQDJC-UHFFFAOYSA-N
XLogP3.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 114921341
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
2-chloro-6-(2-phenoxyethoxy)pyridine
CID 55212397
2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine
CID 21330009
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
2-(3-chloropropoxy)ethoxybenzene
CID 24689326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine (CID 114921193) is 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine is ClCc1cc(OCCOc2ccccc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine?
The InChIKey is PHTBASJYENQDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-9-11-8-14(17-10-13(11)16)19-7-6-18-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine?
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine has a molecular weight of 298.17 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine is sourced from PubChem (CID 114921193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).