2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine

C13H15N — CID 175315625

IUPAC2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine
SMILESCC[C@]1(c2ccccn2)C=CC=CC1
InChIInChI=1S/C13H15N/c1-2-13(9-5-3-6-10-13)12-8-4-7-11-14-12/h3-9,11H,2,10H2,1H3/t13-/m0/s1
InChIKeyBFUBUPNQBTYAJS-ZDUSSCGKSA-N
MW185.27 g/mol
LogP3.25
Rot. Bonds2

About 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine

2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine (PubChem CID 175315625) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine
PubChem CID175315625
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine
SMILESCC[C@]1(c2ccccn2)C=CC=CC1
InChIInChI=1S/C13H15N/c1-2-13(9-5-3-6-10-13)12-8-4-7-11-14-12/h3-9,11H,2,10H2,1H3/t13-/m0/s1
InChIKeyBFUBUPNQBTYAJS-ZDUSSCGKSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
CID 141124285
4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol
CID 175298689
trimethyl-[(2-pyridin-2-yl-1H-pyridin-2-yl)methyl]silane
CID 11235743
3,3-diethyl-1-pyridin-2-ylcyclobutane-1-carbonitrile
CID 80521385
(2S)-2-pyridin-2-yl-1H-pyridin-2-amine
CID 97049775
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine
CID 163498607
2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine
CID 67775617
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine
CID 68657310
(2,6-dipyridin-2-yl-1H-pyridin-2-yl)methyl-trimethylsilane
CID 11578367

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine?
The IUPAC name of 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine (CID 175315625) is 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine.
What is the SMILES notation for 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine?
The canonical SMILES for 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine is CC[C@]1(c2ccccn2)C=CC=CC1.
What is the InChIKey of 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine?
The InChIKey is BFUBUPNQBTYAJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N/c1-2-13(9-5-3-6-10-13)12-8-4-7-11-14-12/h3-9,11H,2,10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine?
2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine has a molecular weight of 185.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine is sourced from PubChem (CID 175315625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).