3-[(3S)-heptan-3-yl]pyridine

C12H19N — CID 134862290

IUPAC3-[(3S)-heptan-3-yl]pyridine
SMILESCCCC[C@H](CC)c1cccnc1
InChIInChI=1S/C12H19N/c1-3-5-7-11(4-2)12-8-6-9-13-10-12/h6,8-11H,3-5,7H2,1-2H3/t11-/m0/s1
InChIKeyOTKBDKVQULEKKG-NSHDSACASA-N
MW177.29 g/mol
LogP3.77
Rot. Bonds5

About 3-[(3S)-heptan-3-yl]pyridine

3-[(3S)-heptan-3-yl]pyridine (PubChem CID 134862290) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-[(3S)-heptan-3-yl]pyridine.

Molecular Properties

Compound Name3-[(3S)-heptan-3-yl]pyridine
PubChem CID134862290
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-[(3S)-heptan-3-yl]pyridine
SMILESCCCC[C@H](CC)c1cccnc1
InChIInChI=1S/C12H19N/c1-3-5-7-11(4-2)12-8-6-9-13-10-12/h6,8-11H,3-5,7H2,1-2H3/t11-/m0/s1
InChIKeyOTKBDKVQULEKKG-NSHDSACASA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-decan-5-ylpyridine
CID 170375029
3-dodecan-5-ylpyridine
CID 71051175
3-tridecan-7-ylpyridine
CID 129119745
3-(1-fluoroheptan-2-yl)pyridine
CID 150907283
heptan-3-ylbenzene;methane
CID 159006232
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-(1-bromoheptyl)pyridine
CID 140580722
octan-3-ylbenzene
CID 519547
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
1-pyridin-3-yldecylhydrazine
CID 105196150
ethyl 3-pyridin-3-ylpentanoate
CID 171747994

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-heptan-3-yl]pyridine?
The IUPAC name of 3-[(3S)-heptan-3-yl]pyridine (CID 134862290) is 3-[(3S)-heptan-3-yl]pyridine.
What is the SMILES notation for 3-[(3S)-heptan-3-yl]pyridine?
The canonical SMILES for 3-[(3S)-heptan-3-yl]pyridine is CCCC[C@H](CC)c1cccnc1.
What is the InChIKey of 3-[(3S)-heptan-3-yl]pyridine?
The InChIKey is OTKBDKVQULEKKG-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N/c1-3-5-7-11(4-2)12-8-6-9-13-10-12/h6,8-11H,3-5,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-heptan-3-yl]pyridine?
3-[(3S)-heptan-3-yl]pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-heptan-3-yl]pyridine is sourced from PubChem (CID 134862290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).