3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile

C14H10ClFN2O — CID 107691144

IUPAC3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(CCl)cc1F
InChIInChI=1S/C14H10ClFN2O/c15-7-10-3-4-14(12(16)6-10)19-9-11-2-1-5-18-13(11)8-17/h1-6H,7,9H2
InChIKeyFADVMYPSMRPUHK-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.41
Rot. Bonds4

About 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile

3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 107691144) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID107691144
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(CCl)cc1F
InChIInChI=1S/C14H10ClFN2O/c15-7-10-3-4-14(12(16)6-10)19-9-11-2-1-5-18-13(11)8-17/h1-6H,7,9H2
InChIKeyFADVMYPSMRPUHK-UHFFFAOYSA-N
XLogP3.41
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile 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

3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107686850
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
CID 65125922
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 107658072
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile (CID 107691144) is 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1ccc(CCl)cc1F.
What is the InChIKey of 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is FADVMYPSMRPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-7-10-3-4-14(12(16)6-10)19-9-11-2-1-5-18-13(11)8-17/h1-6H,7,9H2.
What are the key properties of 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 276.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107691144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).