2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile

C11H6ClN3O — CID 141181590

IUPAC2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccnc2Cl)c1
InChIInChI=1S/C11H6ClN3O/c12-11-9(2-1-4-15-11)16-10-6-8(7-13)3-5-14-10/h1-6H
InChIKeyFJXLDGKLZOOBOO-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.79
Rot. Bonds2

About 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile

2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile (PubChem CID 141181590) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
PubChem CID141181590
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccnc2Cl)c1
InChIInChI=1S/C11H6ClN3O/c12-11-9(2-1-4-15-11)16-10-6-8(7-13)3-5-14-10/h1-6H
InChIKeyFJXLDGKLZOOBOO-UHFFFAOYSA-N
XLogP2.79
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.79
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

2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 24701489
2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
CID 61395565
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741750
2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 60869335
2-(4-fluorophenoxy)pyridine-4-carbonitrile
CID 24695486
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
CID 43352179
2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile
CID 43243239
2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
2-cycloheptyloxypyridine-4-carbonitrile
CID 61071944

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile (CID 141181590) is 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile is N#Cc1ccnc(Oc2cccnc2Cl)c1.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile?
The InChIKey is FJXLDGKLZOOBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-11-9(2-1-4-15-11)16-10-6-8(7-13)3-5-14-10/h1-6H.
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile?
2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile has a molecular weight of 231.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile is sourced from PubChem (CID 141181590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).