4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile

C13H8Cl2N2O — CID 63884434

IUPAC4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C13H8Cl2N2O/c14-11-2-1-3-12(13(11)15)18-8-9-4-5-17-10(6-9)7-16/h1-6H,8H2
InChIKeyWVZBWVJOZFRYMQ-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.84
Rot. Bonds3

About 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile

4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63884434) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63884434
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C13H8Cl2N2O/c14-11-2-1-3-12(13(11)15)18-8-9-4-5-17-10(6-9)7-16/h1-6H,8H2
InChIKeyWVZBWVJOZFRYMQ-UHFFFAOYSA-N
XLogP3.84
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
CID 63882145
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 112613526
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788545
4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882198
4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107712438
5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344467
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
CID 63882534

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile (CID 63884434) is 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2cccc(Cl)c2Cl)ccn1.
What is the InChIKey of 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is WVZBWVJOZFRYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-11-2-1-3-12(13(11)15)18-8-9-4-5-17-10(6-9)7-16/h1-6H,8H2.
What are the key properties of 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile?
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).