2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine

C20H25N — CID 101134170

IUPAC2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
SMILESCCC/C=C(\CCC)c1cccc(C)c1-c1ccccn1
InChIInChI=1S/C20H25N/c1-4-6-12-17(10-5-2)18-13-9-11-16(3)20(18)19-14-7-8-15-21-19/h7-9,11-15H,4-6,10H2,1-3H3/b17-12+
InChIKeyPARUZXJFBNRUJW-SFQUDFHCSA-N
MW279.43 g/mol
LogP6.04
Rot. Bonds6

About 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine

2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine (PubChem CID 101134170) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
PubChem CID101134170
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
SMILESCCC/C=C(\CCC)c1cccc(C)c1-c1ccccn1
InChIInChI=1S/C20H25N/c1-4-6-12-17(10-5-2)18-13-9-11-16(3)20(18)19-14-7-8-15-21-19/h7-9,11-15H,4-6,10H2,1-3H3/b17-12+
InChIKeyPARUZXJFBNRUJW-SFQUDFHCSA-N
XLogP6.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine
CID 101134169
1-methyl-2-oct-4-en-4-ylbenzene
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2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
CID 101134171
(Z)-2-(2-methyl-3-pyridinyl)pent-1-en-1-amine
CID 142342701
propane;2-pyridin-2-ylpyridine
CID 158168510
[3-(2-methylbenzoyl)oxy-2-pyridin-2-ylphenyl] 2-methylbenzoate
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1-[(E)-dec-5-en-5-yl]naphthalene
CID 14452097
pyridin-2-ylmethyl (E)-2-propylhex-2-enoate
CID 102384711
2-(3-butyl-2-methylphenyl)pyridine
CID 161168281
2-(2-methylphenyl)pyridine
CID 144596153
2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
CID 102043111
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine?
The IUPAC name of 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine (CID 101134170) is 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine.
What is the SMILES notation for 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine?
The canonical SMILES for 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine is CCC/C=C(\CCC)c1cccc(C)c1-c1ccccn1.
What is the InChIKey of 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine?
The InChIKey is PARUZXJFBNRUJW-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H25N/c1-4-6-12-17(10-5-2)18-13-9-11-16(3)20(18)19-14-7-8-15-21-19/h7-9,11-15H,4-6,10H2,1-3H3/b17-12+.
What are the key properties of 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine?
2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine has a molecular weight of 279.43 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine is sourced from PubChem (CID 101134170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).