3-heptan-3-yl-2-pyridin-2-ylpyridine

C17H22N2 — CID 154256710

IUPAC3-heptan-3-yl-2-pyridin-2-ylpyridine
SMILESCCCCC(CC)c1cccnc1-c1ccccn1
InChIInChI=1S/C17H22N2/c1-3-5-9-14(4-2)15-10-8-13-19-17(15)16-11-6-7-12-18-16/h6-8,10-14H,3-5,9H2,1-2H3
InChIKeyLDINNGUODBJMSF-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.83
Rot. Bonds6

About 3-heptan-3-yl-2-pyridin-2-ylpyridine

3-heptan-3-yl-2-pyridin-2-ylpyridine (PubChem CID 154256710) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-heptan-3-yl-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-heptan-3-yl-2-pyridin-2-ylpyridine
PubChem CID154256710
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-heptan-3-yl-2-pyridin-2-ylpyridine
SMILESCCCCC(CC)c1cccnc1-c1ccccn1
InChIInChI=1S/C17H22N2/c1-3-5-9-14(4-2)15-10-8-13-19-17(15)16-11-6-7-12-18-16/h6-8,10-14H,3-5,9H2,1-2H3
InChIKeyLDINNGUODBJMSF-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
3-hexan-3-yl-2-methylpyridine
CID 143825062
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
2-(2-heptan-3-ylphenyl)phenol
CID 66865867
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
2-tetradecan-3-ylphenol
CID 66866793
2-tridecan-6-ylpyridine
CID 139295924
1-decan-3-yl-2-methylbenzene
CID 152506171
2-dodecan-3-ylphenol
CID 12820018
4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950

Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-2-pyridin-2-ylpyridine?
The IUPAC name of 3-heptan-3-yl-2-pyridin-2-ylpyridine (CID 154256710) is 3-heptan-3-yl-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-heptan-3-yl-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-heptan-3-yl-2-pyridin-2-ylpyridine is CCCCC(CC)c1cccnc1-c1ccccn1.
What is the InChIKey of 3-heptan-3-yl-2-pyridin-2-ylpyridine?
The InChIKey is LDINNGUODBJMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-5-9-14(4-2)15-10-8-13-19-17(15)16-11-6-7-12-18-16/h6-8,10-14H,3-5,9H2,1-2H3.
What are the key properties of 3-heptan-3-yl-2-pyridin-2-ylpyridine?
3-heptan-3-yl-2-pyridin-2-ylpyridine has a molecular weight of 254.38 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-2-pyridin-2-ylpyridine is sourced from PubChem (CID 154256710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).