2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine

C16H16ClN — CID 86223136

IUPAC2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
SMILESCC(C)C=C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H16ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h3-12H,1-2H3
InChIKeyNGAMFKQAEVBXDL-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.82
Rot. Bonds3

About 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine

2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine (PubChem CID 86223136) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
PubChem CID86223136
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
SMILESCC(C)C=C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H16ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h3-12H,1-2H3
InChIKeyNGAMFKQAEVBXDL-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(Z)-1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
CID 121005257
2-[(Z)-1-(4-chlorophenyl)pent-1-enyl]pyridine
CID 121005200
(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile
CID 122228015
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
CID 70976517
2-[2-[2,5-dimethyl-4-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
CID 54097207
1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
CID 54597344
(E)-3-(4-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 82090012
2-(1-phenylhept-1-enyl)pyridine
CID 71123883
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
2-[(E)-1,2-dichloroethenyl]pyridine
CID 146396959
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine (CID 86223136) is 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine is CC(C)C=C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine?
The InChIKey is NGAMFKQAEVBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-12(2)11-15(16-5-3-4-10-18-16)13-6-8-14(17)9-7-13/h3-12H,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine?
2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine has a molecular weight of 257.76 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine is sourced from PubChem (CID 86223136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).