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

C14H16N2 — CID 169300642

IUPAC2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)c(C([2H])([2H])[2H])n1
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/i1D3,2D3,3D3,4D3
InChIKeyRVZNOBIKSUZIQQ-MGKWXGLJSA-N
MW224.37 g/mol
LogP3.38
Rot. Bonds5

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

2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine (PubChem CID 169300642) has the molecular formula C14H16N2 and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine
PubChem CID169300642
Molecular FormulaC14H16N2
Molecular Weight224.37 g/mol
Exact Mass224.21
IUPAC Name2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)c(C([2H])([2H])[2H])n1
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/i1D3,2D3,3D3,4D3
InChIKeyRVZNOBIKSUZIQQ-MGKWXGLJSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
CID 169300686
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
4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)-9H-fluoren-1-yl]pyridine
CID 158916359
9-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-6-(trideuteriomethyl)-[1]benzofuro[3,2-b]quinoline
CID 166565447
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-8-(trideuteriomethyl)-3,20-dioxa-7-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 176823176
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
2-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 169291839
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
8-[4-quinolin-5-yl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 176779455
8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 118880752
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450257
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 176814936

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine?
The IUPAC name of 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine (CID 169300642) is 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)c(C([2H])([2H])[2H])n1.
What is the InChIKey of 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine?
The InChIKey is RVZNOBIKSUZIQQ-MGKWXGLJSA-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/i1D3,2D3,3D3,4D3.
What are the key properties of 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine?
2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine has a molecular weight of 224.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(trideuteriomethyl)-3-pyridinyl]-4,5-bis(trideuteriomethyl)pyridine is sourced from PubChem (CID 169300642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).