3-(2-ethylhexyl)pyridine

C13H21N — CID 57206063

IUPAC3-(2-ethylhexyl)pyridine
SMILESCCCCC(CC)Cc1cccnc1
InChIInChI=1S/C13H21N/c1-3-5-7-12(4-2)10-13-8-6-9-14-11-13/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKeyMITLYIBKBQKTAJ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.84
Rot. Bonds6

About 3-(2-ethylhexyl)pyridine

3-(2-ethylhexyl)pyridine (PubChem CID 57206063) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(2-ethylhexyl)pyridine.

Molecular Properties

Compound Name3-(2-ethylhexyl)pyridine
PubChem CID57206063
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-(2-ethylhexyl)pyridine
SMILESCCCCC(CC)Cc1cccnc1
InChIInChI=1S/C13H21N/c1-3-5-7-12(4-2)10-13-8-6-9-14-11-13/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKeyMITLYIBKBQKTAJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-hexyloctyl)pyridine
CID 167277838
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-pyridin-3-ylpentan-2-ol
CID 62553061
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
3-(2-cyclopropylheptyl)pyridine
CID 57314652
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)pyridine?
The IUPAC name of 3-(2-ethylhexyl)pyridine (CID 57206063) is 3-(2-ethylhexyl)pyridine.
What is the SMILES notation for 3-(2-ethylhexyl)pyridine?
The canonical SMILES for 3-(2-ethylhexyl)pyridine is CCCCC(CC)Cc1cccnc1.
What is the InChIKey of 3-(2-ethylhexyl)pyridine?
The InChIKey is MITLYIBKBQKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-5-7-12(4-2)10-13-8-6-9-14-11-13/h6,8-9,11-12H,3-5,7,10H2,1-2H3.
What are the key properties of 3-(2-ethylhexyl)pyridine?
3-(2-ethylhexyl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)pyridine is sourced from PubChem (CID 57206063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).