2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine

C14H15N — CID 175803221

IUPAC2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])c1ccccc1-c1ccccn1
InChIInChI=1S/C14H15N/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-15-14/h3-6,8-11H,2,7H2,1H3/i1D3,2D2,7D2
InChIKeyXANZMCIQYZZGAN-OEPSAGCASA-N
MW204.32 g/mol
LogP3.70
Rot. Bonds4

About 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine

2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine (PubChem CID 175803221) has the molecular formula C14H15N and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine
PubChem CID175803221
Molecular FormulaC14H15N
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])c1ccccc1-c1ccccn1
InChIInChI=1S/C14H15N/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-15-14/h3-6,8-11H,2,7H2,1H3/i1D3,2D2,7D2
InChIKeyXANZMCIQYZZGAN-OEPSAGCASA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine?
The IUPAC name of 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine (CID 175803221) is 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine?
The canonical SMILES for 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])c1ccccc1-c1ccccn1.
What is the InChIKey of 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine?
The InChIKey is XANZMCIQYZZGAN-OEPSAGCASA-N. The full InChI is InChI=1S/C14H15N/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-15-14/h3-6,8-11H,2,7H2,1H3/i1D3,2D2,7D2.
What are the key properties of 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine?
2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine has a molecular weight of 204.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,2,2,3,3,3-heptadeuteriopropyl)phenyl]pyridine is sourced from PubChem (CID 175803221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).