3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile

C14H11ClN2O2 — CID 103566677

IUPAC3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2ccc(Cl)nc2)c1
InChIInChI=1S/C14H11ClN2O2/c1-18-12-4-11(7-16)5-13(6-12)19-9-10-2-3-14(15)17-8-10/h2-6,8H,9H2,1H3
InChIKeyLGZKOGHYSRHYLG-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.19
Rot. Bonds4

About 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile

3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile (PubChem CID 103566677) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
PubChem CID103566677
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2ccc(Cl)nc2)c1
InChIInChI=1S/C14H11ClN2O2/c1-18-12-4-11(7-16)5-13(6-12)19-9-10-2-3-14(15)17-8-10/h2-6,8H,9H2,1H3
InChIKeyLGZKOGHYSRHYLG-UHFFFAOYSA-N
XLogP3.19
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566676
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139
3-[(3-amino-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 103566547
3-[(3-cyano-5-methoxyphenoxy)methyl]-5-fluorobenzonitrile
CID 103566793
3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103567180
3-[(5-chlorothiophen-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566952
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
(6-chloro-3-pyridinyl)methyl cyanate
CID 171428640
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566820

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile (CID 103566677) is 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(OCc2ccc(Cl)nc2)c1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
The InChIKey is LGZKOGHYSRHYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-18-12-4-11(7-16)5-13(6-12)19-9-10-2-3-14(15)17-8-10/h2-6,8H,9H2,1H3.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile?
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile has a molecular weight of 274.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103566677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).