3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine

C15H13Cl2N — CID 19817057

IUPAC3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
SMILESC=C(c1cccnc1)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N/c1-10(12-4-3-7-18-9-12)11(2)14-6-5-13(16)8-15(14)17/h3-9,11H,1H2,2H3
InChIKeySFKGHMTVZVVBIT-UHFFFAOYSA-N
MW278.18 g/mol
LogP5.21
Rot. Bonds3

About 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine

3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine (PubChem CID 19817057) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
PubChem CID19817057
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
SMILESC=C(c1cccnc1)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N/c1-10(12-4-3-7-18-9-12)11(2)14-6-5-13(16)8-15(14)17/h3-9,11H,1H2,2H3
InChIKeySFKGHMTVZVVBIT-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.18
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
3-[(Z)-1-chloro-3-(2,4-dichlorophenyl)hex-1-en-5-yn-2-yl]pyridine
CID 19817063
3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine
CID 20504188
3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine
CID 54170361
(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
CID 129362559
N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111310205
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
N-[2-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055650
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
[[amino(pyridin-3-yl)methylidene]amino] 2-(2,4-dichlorophenoxy)propanoate
CID 2913540
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 166869321

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine?
The IUPAC name of 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine (CID 19817057) is 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine.
What is the SMILES notation for 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine?
The canonical SMILES for 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine is C=C(c1cccnc1)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine?
The InChIKey is SFKGHMTVZVVBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N/c1-10(12-4-3-7-18-9-12)11(2)14-6-5-13(16)8-15(14)17/h3-9,11H,1H2,2H3.
What are the key properties of 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine?
3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine has a molecular weight of 278.18 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine is sourced from PubChem (CID 19817057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).