2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile

C14H11ClN2O — CID 114322554

IUPAC2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCc1ccncc1
InChIInChI=1S/C14H11ClN2O/c15-13-2-1-3-14(12(13)10-16)18-9-6-11-4-7-17-8-5-11/h1-5,7-8H,6,9H2
InChIKeyDTOOWXSEUSYYSA-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile

2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile (PubChem CID 114322554) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
PubChem CID114322554
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCc1ccncc1
InChIInChI=1S/C14H11ClN2O/c15-13-2-1-3-14(12(13)10-16)18-9-6-11-4-7-17-8-5-11/h1-5,7-8H,6,9H2
InChIKeyDTOOWXSEUSYYSA-UHFFFAOYSA-N
XLogP3.23
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
2-chloro-6-hexoxybenzonitrile
CID 63513082
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzonitrile
CID 79035063
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
CID 114322559
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
4-(3-chloro-2-cyanophenoxy)-N-methylbutanamide
CID 113277276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile (CID 114322554) is 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile is N#Cc1c(Cl)cccc1OCCc1ccncc1.
What is the InChIKey of 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile?
The InChIKey is DTOOWXSEUSYYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-2-1-3-14(12(13)10-16)18-9-6-11-4-7-17-8-5-11/h1-5,7-8H,6,9H2.
What are the key properties of 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile?
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile is sourced from PubChem (CID 114322554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).