2-[4-(1-deuteriopropyl)phenyl]pyridine

C14H15N — CID 163281838

IUPAC2-[4-(1-deuteriopropyl)phenyl]pyridine
SMILES[2H]C(CC)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H15N/c1-2-5-12-7-9-13(10-8-12)14-6-3-4-11-15-14/h3-4,6-11H,2,5H2,1H3/i5D
InChIKeyDSBKEMGKXNGZMS-UICOGKGYSA-N
MW198.29 g/mol
LogP3.70
Rot. Bonds3

About 2-[4-(1-deuteriopropyl)phenyl]pyridine

2-[4-(1-deuteriopropyl)phenyl]pyridine (PubChem CID 163281838) has the molecular formula C14H15N and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[4-(1-deuteriopropyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(1-deuteriopropyl)phenyl]pyridine
PubChem CID163281838
Molecular FormulaC14H15N
Molecular Weight198.29 g/mol
Exact Mass198.13
IUPAC Name2-[4-(1-deuteriopropyl)phenyl]pyridine
SMILES[2H]C(CC)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H15N/c1-2-5-12-7-9-13(10-8-12)14-6-3-4-11-15-14/h3-4,6-11H,2,5H2,1H3/i5D
InChIKeyDSBKEMGKXNGZMS-UICOGKGYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158701503
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
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2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
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2-(4-methylphenyl)pyridine;silver
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2-(4-pyridin-2-ylphenyl)acetamide
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1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889160
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
propane;2-pyridin-2-ylpyridine
CID 158168510
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 159589094
(4-pyridin-2-ylphenyl)methanesulfinic acid
CID 174730201
CID 88530161
CID 88530161

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-deuteriopropyl)phenyl]pyridine?
The IUPAC name of 2-[4-(1-deuteriopropyl)phenyl]pyridine (CID 163281838) is 2-[4-(1-deuteriopropyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(1-deuteriopropyl)phenyl]pyridine?
The canonical SMILES for 2-[4-(1-deuteriopropyl)phenyl]pyridine is [2H]C(CC)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[4-(1-deuteriopropyl)phenyl]pyridine?
The InChIKey is DSBKEMGKXNGZMS-UICOGKGYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-5-12-7-9-13(10-8-12)14-6-3-4-11-15-14/h3-4,6-11H,2,5H2,1H3/i5D.
What are the key properties of 2-[4-(1-deuteriopropyl)phenyl]pyridine?
2-[4-(1-deuteriopropyl)phenyl]pyridine has a molecular weight of 198.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-deuteriopropyl)phenyl]pyridine is sourced from PubChem (CID 163281838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).