2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine

C21H20ClNO2 — CID 89421768

IUPAC2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
SMILESCCc1c(OCc2ccccc2)cc(OCc2ccccc2)nc1Cl
InChIInChI=1S/C21H20ClNO2/c1-2-18-19(24-14-16-9-5-3-6-10-16)13-20(23-21(18)22)25-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3
InChIKeyRBYJMZPBKPNJQA-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.46
Rot. Bonds7

About 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine

2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine (PubChem CID 89421768) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
PubChem CID89421768
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
SMILESCCc1c(OCc2ccccc2)cc(OCc2ccccc2)nc1Cl
InChIInChI=1S/C21H20ClNO2/c1-2-18-19(24-14-16-9-5-3-6-10-16)13-20(23-21(18)22)25-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3
InChIKeyRBYJMZPBKPNJQA-UHFFFAOYSA-N
XLogP5.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
CID 59686866
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
2-chloro-6-(2,3-dimethoxypropoxy)-3-methyl-4-phenylmethoxypyridine
CID 166530051
tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159227039
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
CID 142389723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine (CID 89421768) is 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine is CCc1c(OCc2ccccc2)cc(OCc2ccccc2)nc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine?
The InChIKey is RBYJMZPBKPNJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-2-18-19(24-14-16-9-5-3-6-10-16)13-20(23-21(18)22)25-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3.
What are the key properties of 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine?
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine has a molecular weight of 353.85 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine is sourced from PubChem (CID 89421768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).