2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile

C12H8ClN3O — CID 114766946

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C12H8ClN3O/c1-8-2-9(5-14)3-12(16-8)17-11-4-10(13)6-15-7-11/h2-4,6-7H,1H3
InChIKeyABJQEGYJAQXIFG-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.10
Rot. Bonds2

About 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile

2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile (PubChem CID 114766946) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile
PubChem CID114766946
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C12H8ClN3O/c1-8-2-9(5-14)3-12(16-8)17-11-4-10(13)6-15-7-11/h2-4,6-7H,1H3
InChIKeyABJQEGYJAQXIFG-UHFFFAOYSA-N
XLogP3.10
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
5-[(2S)-2-aminopropoxy]-2-chloro-3-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10062782
2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
US10155760, Example 238
CID 118419882
US10155760, Example 147
CID 118429884
(2R)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N-methylpropan-2-amine
CID 10357643
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-4-yl-ethyl)-pyridine
CID 10426859
2-Chloro-3-(2-pyridin-2-yl-vinyl)-5-(pyrrolidin-2-ylmethoxy)-pyridine
CID 10903166
2-Chloro-5-(1-methyl-azetidin-2-ylmethoxy)-3-(2-pyridin-4-yl-vinyl)-pyridine
CID 10925116
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-2-yl-vinyl)-pyridine
CID 10947475
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-3-yl-vinyl)-pyridine
CID 11110301
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-4-yl-vinyl)-pyridine
CID 11724148

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile (CID 114766946) is 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile?
The InChIKey is ABJQEGYJAQXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c1-8-2-9(5-14)3-12(16-8)17-11-4-10(13)6-15-7-11/h2-4,6-7H,1H3.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile?
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile has a molecular weight of 245.67 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).