2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile

C14H10ClFN2O — CID 114014507

IUPAC2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(CCl)nc1
InChIInChI=1S/C14H10ClFN2O/c15-6-13-3-4-14(8-18-13)19-9-11-5-12(16)2-1-10(11)7-17/h1-5,8H,6,9H2
InChIKeyRQVOEYBDYXYPMJ-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.41
Rot. Bonds4

About 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile

2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile (PubChem CID 114014507) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile
PubChem CID114014507
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(CCl)nc1
InChIInChI=1S/C14H10ClFN2O/c15-6-13-3-4-14(8-18-13)19-9-11-5-12(16)2-1-10(11)7-17/h1-5,8H,6,9H2
InChIKeyRQVOEYBDYXYPMJ-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'}

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Related Compounds

2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859
2-[[4-bromo-3-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906263
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-fluorobenzonitrile
CID 107906212
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906213
4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
CID 114014305
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515
4-fluoro-2-[[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]methyl]benzonitrile
CID 107906027
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile (CID 114014507) is 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1COc1ccc(CCl)nc1.
What is the InChIKey of 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile?
The InChIKey is RQVOEYBDYXYPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-6-13-3-4-14(8-18-13)19-9-11-5-12(16)2-1-10(11)7-17/h1-5,8H,6,9H2.
What are the key properties of 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile?
2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile 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 2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile is sourced from PubChem (CID 114014507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).