6-(4-methylphenoxy)pyridine-3-carbonitrile

C13H10N2O — CID 514831

IUPAC6-(4-methylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(Oc2ccc(C#N)cn2)cc1
InChIInChI=1S/C13H10N2O/c1-10-2-5-12(6-3-10)16-13-7-4-11(8-14)9-15-13/h2-7,9H,1H3
InChIKeyIZHLMEHEGRNQMP-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.05
Rot. Bonds2

About 6-(4-methylphenoxy)pyridine-3-carbonitrile

6-(4-methylphenoxy)pyridine-3-carbonitrile (PubChem CID 514831) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-(4-methylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenoxy)pyridine-3-carbonitrile
PubChem CID514831
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name6-(4-methylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(Oc2ccc(C#N)cn2)cc1
InChIInChI=1S/C13H10N2O/c1-10-2-5-12(6-3-10)16-13-7-4-11(8-14)9-15-13/h2-7,9H,1H3
InChIKeyIZHLMEHEGRNQMP-UHFFFAOYSA-N
XLogP3.05
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cb-103
CID 2735289
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Ro 31-6930
CID 3036546
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
RG 13022
CID 5468216
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenoxy)pyridine-3-carbonitrile (CID 514831) is 6-(4-methylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenoxy)pyridine-3-carbonitrile is Cc1ccc(Oc2ccc(C#N)cn2)cc1.
What is the InChIKey of 6-(4-methylphenoxy)pyridine-3-carbonitrile?
The InChIKey is IZHLMEHEGRNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-10-2-5-12(6-3-10)16-13-7-4-11(8-14)9-15-13/h2-7,9H,1H3.
What are the key properties of 6-(4-methylphenoxy)pyridine-3-carbonitrile?
6-(4-methylphenoxy)pyridine-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 514831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).