4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine

C10H11N3 — CID 129387018

IUPAC4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine
SMILESC[C@@H](c1ccncc1)c1cnc[nH]1
InChIInChI=1S/C10H11N3/c1-8(10-6-12-7-13-10)9-2-4-11-5-3-9/h2-8H,1H3,(H,12,13)/t8-/m0/s1
InChIKeyDPELMUWEKHTERD-QMMMGPOBSA-N
MW173.22 g/mol
LogP1.96
Rot. Bonds2

About 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine

4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine (PubChem CID 129387018) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine
PubChem CID129387018
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine
SMILESC[C@@H](c1ccncc1)c1cnc[nH]1
InChIInChI=1S/C10H11N3/c1-8(10-6-12-7-13-10)9-2-4-11-5-3-9/h2-8H,1H3,(H,12,13)/t8-/m0/s1
InChIKeyDPELMUWEKHTERD-QMMMGPOBSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine?
The IUPAC name of 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine (CID 129387018) is 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine.
What is the SMILES notation for 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine?
The canonical SMILES for 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine is C[C@@H](c1ccncc1)c1cnc[nH]1.
What is the InChIKey of 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine?
The InChIKey is DPELMUWEKHTERD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3/c1-8(10-6-12-7-13-10)9-2-4-11-5-3-9/h2-8H,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine?
4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine has a molecular weight of 173.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine is sourced from PubChem (CID 129387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).