4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine

C21H19NO — CID 163739130

IUPAC4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc3oc4ccc(C)cc4c3c2)c1
InChIInChI=1S/C21H19NO/c1-13(2)15-8-9-22-19(12-15)16-5-7-21-18(11-16)17-10-14(3)4-6-20(17)23-21/h4-13H,1-3H3/i13D
InChIKeyYUSQFNYWKSTQFE-YSOHJTORSA-N
MW302.40 g/mol
LogP6.08
Rot. Bonds2

About 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine (PubChem CID 163739130) has the molecular formula C21H19NO and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
PubChem CID163739130
Molecular FormulaC21H19NO
Molecular Weight302.40 g/mol
Exact Mass302.15
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc3oc4ccc(C)cc4c3c2)c1
InChIInChI=1S/C21H19NO/c1-13(2)15-8-9-22-19(12-15)16-5-7-21-18(11-16)17-10-14(3)4-6-20(17)23-21/h4-13H,1-3H3/i13D
InChIKeyYUSQFNYWKSTQFE-YSOHJTORSA-N
XLogP6.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 156686701
2-(4-methoxy-2-pyridinyl)-7-methylxanthen-9-one
CID 140717662
4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 165170605
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
CID 166578919
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 162709173
8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
CID 162709674
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine (CID 163739130) is 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2ccc3oc4ccc(C)cc4c3c2)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine?
The InChIKey is YUSQFNYWKSTQFE-YSOHJTORSA-N. The full InChI is InChI=1S/C21H19NO/c1-13(2)15-8-9-22-19(12-15)16-5-7-21-18(11-16)17-10-14(3)4-6-20(17)23-21/h4-13H,1-3H3/i13D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine has a molecular weight of 302.40 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 163739130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).