4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile

C14H10Cl2N2O — CID 112613526

IUPAC4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2c(Cl)cccc2CCl)ccn1
InChIInChI=1S/C14H10Cl2N2O/c15-7-11-2-1-3-13(16)14(11)19-9-10-4-5-18-12(6-10)8-17/h1-6H,7,9H2
InChIKeyGAIRFHQXCZFXLR-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.92
Rot. Bonds4

About 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 112613526) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID112613526
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2c(Cl)cccc2CCl)ccn1
InChIInChI=1S/C14H10Cl2N2O/c15-7-11-2-1-3-13(16)14(11)19-9-10-4-5-18-12(6-10)8-17/h1-6H,7,9H2
InChIKeyGAIRFHQXCZFXLR-UHFFFAOYSA-N
XLogP3.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.92
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

4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887268
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
CID 63882145
4-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carbonitrile
CID 103825985
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 112613526) is 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2c(Cl)cccc2CCl)ccn1.
What is the InChIKey of 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is GAIRFHQXCZFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-7-11-2-1-3-13(16)14(11)19-9-10-4-5-18-12(6-10)8-17/h1-6H,7,9H2.
What are the key properties of 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 293.15 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 112613526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).