2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine

C12H11N — CID 154590304

IUPAC2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine
SMILES[2H]c1nc(-c2cc(C)c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C12H11N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h2-9H,1H3/i2D,3D,4D,5D,6D,7D,8D
InChIKeyJMTCQDNRTSGBGC-CFWCETGYSA-N
MW176.27 g/mol
LogP3.06
Rot. Bonds1

About 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine

2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine (PubChem CID 154590304) has the molecular formula C12H11N and a molecular weight of 176.27 g/mol. Its IUPAC name is 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine.

Molecular Properties

Compound Name2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine
PubChem CID154590304
Molecular FormulaC12H11N
Molecular Weight176.27 g/mol
Exact Mass176.13
IUPAC Name2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine
SMILES[2H]c1nc(-c2cc(C)c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C12H11N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h2-9H,1H3/i2D,3D,4D,5D,6D,7D,8D
InChIKeyJMTCQDNRTSGBGC-CFWCETGYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 59070802
1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene
CID 158853164
tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane
CID 164717588
3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 140711713
2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
CID 164803143
2-[4-anthracen-9-yl-3,5-dideuterio-6-(3,4,5-trideuterio-2-pyridinyl)-2-pyridinyl]-3,4,5,6-tetradeuteriopyridine
CID 172553681
tris(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,6-tetradeuterio-5-methylphenyl)silane
CID 165093381
1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene
CID 167703253
4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 159098046
2-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4-trideuterio-5-[2,3,4,5,6,7-hexadeuterio-8-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685436
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 87305393
4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 140838998

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine?
The IUPAC name of 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine (CID 154590304) is 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine.
What is the SMILES notation for 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine?
The canonical SMILES for 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine is [2H]c1nc(-c2cc(C)c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine?
The InChIKey is JMTCQDNRTSGBGC-CFWCETGYSA-N. The full InChI is InChI=1S/C12H11N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h2-9H,1H3/i2D,3D,4D,5D,6D,7D,8D.
What are the key properties of 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine?
2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine has a molecular weight of 176.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine is sourced from PubChem (CID 154590304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).