3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine

C13H11ClFNO — CID 81235169

IUPAC3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
SMILESFc1ccccc1COc1ccncc1CCl
InChIInChI=1S/C13H11ClFNO/c14-7-11-8-16-6-5-13(11)17-9-10-3-1-2-4-12(10)15/h1-6,8H,7,9H2
InChIKeySNFOMKGAWSASOO-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.54
Rot. Bonds4

About 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine

3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine (PubChem CID 81235169) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
PubChem CID81235169
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
SMILESFc1ccccc1COc1ccncc1CCl
InChIInChI=1S/C13H11ClFNO/c14-7-11-8-16-6-5-13(11)17-9-10-3-1-2-4-12(10)15/h1-6,8H,7,9H2
InChIKeySNFOMKGAWSASOO-UHFFFAOYSA-N
XLogP3.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 81251244
N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250250
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718771
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 81234059
2-chloro-4-[(2-fluorophenyl)methoxy]-5-methylpyridine
CID 83269019
2-chloro-3-[(2-fluorophenyl)methoxy]pyrazine
CID 63936130
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
7-[(2-fluorophenyl)methoxymethyl]isoquinoline
CID 67075433

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine?
The IUPAC name of 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine (CID 81235169) is 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine?
The canonical SMILES for 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine is Fc1ccccc1COc1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine?
The InChIKey is SNFOMKGAWSASOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-7-11-8-16-6-5-13(11)17-9-10-3-1-2-4-12(10)15/h1-6,8H,7,9H2.
What are the key properties of 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine?
3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine has a molecular weight of 251.69 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine is sourced from PubChem (CID 81235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).