3-deuterio-4-methyl-2-propan-2-ylpyridine

C9H13N — CID 175705268

IUPAC3-deuterio-4-methyl-2-propan-2-ylpyridine
SMILES[2H]c1c(C)ccnc1C(C)C
InChIInChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3/i6D
InChIKeyIQTHCDAGRCAFJT-RAMDWTOOSA-N
MW136.22 g/mol
LogP2.51
Rot. Bonds1

About 3-deuterio-4-methyl-2-propan-2-ylpyridine

3-deuterio-4-methyl-2-propan-2-ylpyridine (PubChem CID 175705268) has the molecular formula C9H13N and a molecular weight of 136.22 g/mol. Its IUPAC name is 3-deuterio-4-methyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-deuterio-4-methyl-2-propan-2-ylpyridine
PubChem CID175705268
Molecular FormulaC9H13N
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name3-deuterio-4-methyl-2-propan-2-ylpyridine
SMILES[2H]c1c(C)ccnc1C(C)C
InChIInChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3/i6D
InChIKeyIQTHCDAGRCAFJT-RAMDWTOOSA-N
XLogP2.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-4-methyl-2-propan-2-ylpyridine?
The IUPAC name of 3-deuterio-4-methyl-2-propan-2-ylpyridine (CID 175705268) is 3-deuterio-4-methyl-2-propan-2-ylpyridine.
What is the SMILES notation for 3-deuterio-4-methyl-2-propan-2-ylpyridine?
The canonical SMILES for 3-deuterio-4-methyl-2-propan-2-ylpyridine is [2H]c1c(C)ccnc1C(C)C.
What is the InChIKey of 3-deuterio-4-methyl-2-propan-2-ylpyridine?
The InChIKey is IQTHCDAGRCAFJT-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3/i6D.
What are the key properties of 3-deuterio-4-methyl-2-propan-2-ylpyridine?
3-deuterio-4-methyl-2-propan-2-ylpyridine has a molecular weight of 136.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-4-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 175705268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).