2-chloro-4-(2-phenylethoxymethyl)pyridine

C14H14ClNO — CID 114999592

IUPAC2-chloro-4-(2-phenylethoxymethyl)pyridine
SMILESClc1cc(COCCc2ccccc2)ccn1
InChIInChI=1S/C14H14ClNO/c15-14-10-13(6-8-16-14)11-17-9-7-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2
InChIKeyBDLFCKPBEXBHGS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.49
Rot. Bonds5

About 2-chloro-4-(2-phenylethoxymethyl)pyridine

2-chloro-4-(2-phenylethoxymethyl)pyridine (PubChem CID 114999592) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-4-(2-phenylethoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-phenylethoxymethyl)pyridine
PubChem CID114999592
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-chloro-4-(2-phenylethoxymethyl)pyridine
SMILESClc1cc(COCCc2ccccc2)ccn1
InChIInChI=1S/C14H14ClNO/c15-14-10-13(6-8-16-14)11-17-9-7-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2
InChIKeyBDLFCKPBEXBHGS-UHFFFAOYSA-N
XLogP3.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2-pyridin-2-ylethoxymethyl)pyridine
CID 62471234
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945
2-chloro-4-(2-propoxyethoxymethyl)pyridine
CID 63684727
2-chloro-4-[(2-chlorophenyl)methoxymethyl]pyridine
CID 62472103
2-chloro-4-(3,3-dimethylbutoxymethyl)pyridine
CID 66231568
4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
CID 130968906
2-chloro-4-(pent-4-enoxymethyl)pyridine
CID 79114699
2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
CID 82788913
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
N-methyl-4-(3-phenylpropoxymethyl)pyridin-2-amine
CID 62467292
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-phenylethoxymethyl)pyridine?
The IUPAC name of 2-chloro-4-(2-phenylethoxymethyl)pyridine (CID 114999592) is 2-chloro-4-(2-phenylethoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(2-phenylethoxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-(2-phenylethoxymethyl)pyridine is Clc1cc(COCCc2ccccc2)ccn1.
What is the InChIKey of 2-chloro-4-(2-phenylethoxymethyl)pyridine?
The InChIKey is BDLFCKPBEXBHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-14-10-13(6-8-16-14)11-17-9-7-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2.
What are the key properties of 2-chloro-4-(2-phenylethoxymethyl)pyridine?
2-chloro-4-(2-phenylethoxymethyl)pyridine has a molecular weight of 247.73 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-phenylethoxymethyl)pyridine is sourced from PubChem (CID 114999592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).