6-phenyl-6-pyridin-2-ylhexanenitrile

C17H18N2 — CID 138977587

IUPAC6-phenyl-6-pyridin-2-ylhexanenitrile
SMILESN#CCCCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N2/c18-13-7-2-5-11-16(15-9-3-1-4-10-15)17-12-6-8-14-19-17/h1,3-4,6,8-10,12,14,16H,2,5,7,11H2
InChIKeyMATREECHXQHUOS-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.30
Rot. Bonds6

About 6-phenyl-6-pyridin-2-ylhexanenitrile

6-phenyl-6-pyridin-2-ylhexanenitrile (PubChem CID 138977587) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-phenyl-6-pyridin-2-ylhexanenitrile.

Molecular Properties

Compound Name6-phenyl-6-pyridin-2-ylhexanenitrile
PubChem CID138977587
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name6-phenyl-6-pyridin-2-ylhexanenitrile
SMILESN#CCCCCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N2/c18-13-7-2-5-11-16(15-9-3-1-4-10-15)17-12-6-8-14-19-17/h1,3-4,6,8-10,12,14,16H,2,5,7,11H2
InChIKeyMATREECHXQHUOS-UHFFFAOYSA-N
XLogP4.30
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
4-amino-4-pyridin-2-ylbutanenitrile
CID 116940079
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929
4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
CID 90681228
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine
CID 57295070
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
CID 57132350

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-6-pyridin-2-ylhexanenitrile?
The IUPAC name of 6-phenyl-6-pyridin-2-ylhexanenitrile (CID 138977587) is 6-phenyl-6-pyridin-2-ylhexanenitrile.
What is the SMILES notation for 6-phenyl-6-pyridin-2-ylhexanenitrile?
The canonical SMILES for 6-phenyl-6-pyridin-2-ylhexanenitrile is N#CCCCCC(c1ccccc1)c1ccccn1.
What is the InChIKey of 6-phenyl-6-pyridin-2-ylhexanenitrile?
The InChIKey is MATREECHXQHUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-13-7-2-5-11-16(15-9-3-1-4-10-15)17-12-6-8-14-19-17/h1,3-4,6,8-10,12,14,16H,2,5,7,11H2.
What are the key properties of 6-phenyl-6-pyridin-2-ylhexanenitrile?
6-phenyl-6-pyridin-2-ylhexanenitrile has a molecular weight of 250.35 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-6-pyridin-2-ylhexanenitrile is sourced from PubChem (CID 138977587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).