3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine

C18H13NO — CID 154588250

IUPAC3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
SMILES[2H]c1c(C)cnc(-c2cccc3c2oc2ccccc23)c1[2H]
InChIInChI=1S/C18H13NO/c1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15/h2-11H,1H3/i9D,10D
InChIKeyIPPZCDYMTVOYQD-QDRJLNDYSA-N
MW261.32 g/mol
LogP4.96
Rot. Bonds1

About 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine

3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine (PubChem CID 154588250) has the molecular formula C18H13NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine.

Molecular Properties

Compound Name3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
PubChem CID154588250
Molecular FormulaC18H13NO
Molecular Weight261.32 g/mol
Exact Mass261.11
IUPAC Name3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
SMILES[2H]c1c(C)cnc(-c2cccc3c2oc2ccccc23)c1[2H]
InChIInChI=1S/C18H13NO/c1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15/h2-11H,1H3/i9D,10D
InChIKeyIPPZCDYMTVOYQD-QDRJLNDYSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 123749789
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112

Frequently Asked Questions

What is the IUPAC name of 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine?
The IUPAC name of 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine (CID 154588250) is 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine.
What is the SMILES notation for 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine?
The canonical SMILES for 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine is [2H]c1c(C)cnc(-c2cccc3c2oc2ccccc23)c1[2H].
What is the InChIKey of 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine?
The InChIKey is IPPZCDYMTVOYQD-QDRJLNDYSA-N. The full InChI is InChI=1S/C18H13NO/c1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15/h2-11H,1H3/i9D,10D.
What are the key properties of 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine?
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine has a molecular weight of 261.32 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine is sourced from PubChem (CID 154588250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).