2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine

C19H18N2O2 — CID 135235930

IUPAC2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccncc1-c1cccnc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C19H18N2O2/c1-13-6-7-15(11-14(13)2)23-19-16(5-4-9-21-19)17-12-20-10-8-18(17)22-3/h4-12H,1-3H3
InChIKeyNYFLPNXTFRNKOK-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.56
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine

2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine (PubChem CID 135235930) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine
PubChem CID135235930
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine
SMILESCOc1ccncc1-c1cccnc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C19H18N2O2/c1-13-6-7-15(11-14(13)2)23-19-16(5-4-9-21-19)17-12-20-10-8-18(17)22-3/h4-12H,1-3H3
InChIKeyNYFLPNXTFRNKOK-UHFFFAOYSA-N
XLogP4.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxyisoquinoline
CID 177578
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
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 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine (CID 135235930) is 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine is COc1ccncc1-c1cccnc1Oc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine?
The InChIKey is NYFLPNXTFRNKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-7-15(11-14(13)2)23-19-16(5-4-9-21-19)17-12-20-10-8-18(17)22-3/h4-12H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine?
2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine has a molecular weight of 306.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine is sourced from PubChem (CID 135235930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).