3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile

C14H10Cl2N2O — CID 104693556

IUPAC3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O/c1-9-2-3-10(7-17)6-13(9)19-8-12-11(15)4-5-14(16)18-12/h2-6H,8H2,1H3
InChIKeyGGJIZODHEYKZPL-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.15
Rot. Bonds3

About 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile

3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile (PubChem CID 104693556) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
PubChem CID104693556
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O/c1-9-2-3-10(7-17)6-13(9)19-8-12-11(15)4-5-14(16)18-12/h2-6H,8H2,1H3
InChIKeyGGJIZODHEYKZPL-UHFFFAOYSA-N
XLogP4.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
CID 62886670
4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 62884936
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107663259
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453
3,6-dichloro-2-[(4-ethoxyphenoxy)methyl]pyridine
CID 62892935
3-(6-chloropyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657769
5-chloro-6-[(2,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 63484940
3-(6-chlorohexoxy)-4-methylbenzonitrile
CID 107657561
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylbenzonitrile
CID 103760389
4-methyl-3-(methylsulfanylmethoxy)benzonitrile
CID 131020707

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile (CID 104693556) is 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile is Cc1ccc(C#N)cc1OCc1nc(Cl)ccc1Cl.
What is the InChIKey of 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
The InChIKey is GGJIZODHEYKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-9-2-3-10(7-17)6-13(9)19-8-12-11(15)4-5-14(16)18-12/h2-6H,8H2,1H3.
What are the key properties of 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile has a molecular weight of 293.15 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 104693556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).