3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile

C13H9ClN2O2 — CID 103568115

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H9ClN2O2/c1-17-11-4-9(7-15)5-12(6-11)18-13-3-2-10(14)8-16-13/h2-6,8H,1H3
InChIKeyFTHIGEXITTXCMR-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.41
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile

3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile (PubChem CID 103568115) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
PubChem CID103568115
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Oc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H9ClN2O2/c1-17-11-4-9(7-15)5-12(6-11)18-13-3-2-10(14)8-16-13/h2-6,8H,1H3
InChIKeyFTHIGEXITTXCMR-UHFFFAOYSA-N
XLogP3.41
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-methoxy-5-methylphenoxy)pyridine
CID 141112024
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566820
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566677
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
2-[(5-chloro-2-pyridinyl)oxy]-5-methoxyaniline
CID 43173743
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566735
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile (CID 103568115) is 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(Oc2ccc(Cl)cn2)c1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile?
The InChIKey is FTHIGEXITTXCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c1-17-11-4-9(7-15)5-12(6-11)18-13-3-2-10(14)8-16-13/h2-6,8H,1H3.
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile?
3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile has a molecular weight of 260.68 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103568115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).