2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine

C14H16N2 — CID 169300686

IUPAC2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(C)nc2C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C14H16N2/c1-9-7-14(15-8-10(9)2)13-6-5-11(3)16-12(13)4/h5-8H,1-4H3/i1D3,2D3
InChIKeyRVZNOBIKSUZIQQ-WFGJKAKNSA-N
MW218.33 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine

2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine (PubChem CID 169300686) has the molecular formula C14H16N2 and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
PubChem CID169300686
Molecular FormulaC14H16N2
Molecular Weight218.33 g/mol
Exact Mass218.17
IUPAC Name2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(C)nc2C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C14H16N2/c1-9-7-14(15-8-10(9)2)13-6-5-11(3)16-12(13)4/h5-8H,1-4H3/i1D3,2D3
InChIKeyRVZNOBIKSUZIQQ-WFGJKAKNSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine
CID 169300642
4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine
CID 158916359
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-5-(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 163563877
3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline
CID 144898406
CID 157171964
CID 157171964
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-18-(trideuteriomethyl)-3-oxa-17-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 176823661
4-[3-[4,5-bis(trideuteriomethyl)-2-pyridinyl]phenyl]-2-methyl-1,3-benzoxazole
CID 158869074
9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-6-(trideuteriomethyl)-[1]benzofuro[3,2-b]quinoline
CID 166565447
3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine
CID 176652032
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450230
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine?
The IUPAC name of 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine (CID 169300686) is 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc(C)nc2C)cc1C([2H])([2H])[2H].
What is the InChIKey of 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine?
The InChIKey is RVZNOBIKSUZIQQ-WFGJKAKNSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-7-14(15-8-10(9)2)13-6-5-11(3)16-12(13)4/h5-8H,1-4H3/i1D3,2D3.
What are the key properties of 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine?
2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine has a molecular weight of 218.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine is sourced from PubChem (CID 169300686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).