3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine

C14H16N2O2 — CID 141442661

IUPAC3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine
SMILESCOC(Cc1cccnc1-c1ccccn1)OC
InChIInChI=1S/C14H16N2O2/c1-17-13(18-2)10-11-6-5-9-16-14(11)12-7-3-4-8-15-12/h3-9,13H,10H2,1-2H3
InChIKeyLKEKQSACRNXUEL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.31
Rot. Bonds5

About 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine

3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine (PubChem CID 141442661) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine
PubChem CID141442661
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine
SMILESCOC(Cc1cccnc1-c1ccccn1)OC
InChIInChI=1S/C14H16N2O2/c1-17-13(18-2)10-11-6-5-9-16-14(11)12-7-3-4-8-15-12/h3-9,13H,10H2,1-2H3
InChIKeyLKEKQSACRNXUEL-UHFFFAOYSA-N
XLogP2.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
3-prop-2-enyl-2-pyridin-2-ylpyridine
CID 66633912
2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde
CID 142200522
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
3-fluoro-2-pyridin-2-ylpyridine;methoxymethane
CID 145129615
phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine
CID 175044718
2-methoxy-3-pyridin-2-ylpyrazine
CID 91147636
tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
CID 45254856
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine?
The IUPAC name of 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine (CID 141442661) is 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine is COC(Cc1cccnc1-c1ccccn1)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine?
The InChIKey is LKEKQSACRNXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13(18-2)10-11-6-5-9-16-14(11)12-7-3-4-8-15-12/h3-9,13H,10H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine?
3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine has a molecular weight of 244.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 141442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).