2-chloro-3-(2-pyridin-3-ylethoxy)pyridine

C12H11ClN2O — CID 65102137

IUPAC2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
SMILESClc1ncccc1OCCc1cccnc1
InChIInChI=1S/C12H11ClN2O/c13-12-11(4-2-7-15-12)16-8-5-10-3-1-6-14-9-10/h1-4,6-7,9H,5,8H2
InChIKeyRSTHXXGEXCKZKB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine

2-chloro-3-(2-pyridin-3-ylethoxy)pyridine (PubChem CID 65102137) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
PubChem CID65102137
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
SMILESClc1ncccc1OCCc1cccnc1
InChIInChI=1S/C12H11ClN2O/c13-12-11(4-2-7-15-12)16-8-5-10-3-1-6-14-9-10/h1-4,6-7,9H,5,8H2
InChIKeyRSTHXXGEXCKZKB-UHFFFAOYSA-N
XLogP2.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.75
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

5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine
CID 23506266
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
3-[2-[2-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridine
CID 63262801
3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
CID 171833507
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine?
The IUPAC name of 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine (CID 65102137) is 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine is Clc1ncccc1OCCc1cccnc1.
What is the InChIKey of 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine?
The InChIKey is RSTHXXGEXCKZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-12-11(4-2-7-15-12)16-8-5-10-3-1-6-14-9-10/h1-4,6-7,9H,5,8H2.
What are the key properties of 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine?
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine has a molecular weight of 234.69 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-pyridin-3-ylethoxy)pyridine is sourced from PubChem (CID 65102137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).