4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine

C17H19Cl2N — CID 14883798

IUPAC4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
SMILESCc1cnccc1C(C)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-12(15-8-9-20-11-13(15)2)4-3-5-14-6-7-16(18)17(19)10-14/h6-12H,3-5H2,1-2H3
InChIKeyGTXUVLIUPLUNCA-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.82
Rot. Bonds5

About 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine

4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine (PubChem CID 14883798) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine.

Molecular Properties

Compound Name4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
PubChem CID14883798
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
SMILESCc1cnccc1C(C)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-12(15-8-9-20-11-13(15)2)4-3-5-14-6-7-16(18)17(19)10-14/h6-12H,3-5H2,1-2H3
InChIKeyGTXUVLIUPLUNCA-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-pentan-2-ylpyridine
CID 143325066
4-butan-2-yl-3-methylpyridine
CID 66641815
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine
CID 10831764
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
5-(4-chloro-3-methylphenyl)pentan-2-amine
CID 83937390
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
[2-(3,4-dichlorophenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105210863
[2-(3-chloro-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 103044062
4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
CID 21279033

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine?
The IUPAC name of 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine (CID 14883798) is 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine.
What is the SMILES notation for 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine?
The canonical SMILES for 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine is Cc1cnccc1C(C)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine?
The InChIKey is GTXUVLIUPLUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12(15-8-9-20-11-13(15)2)4-3-5-14-6-7-16(18)17(19)10-14/h6-12H,3-5H2,1-2H3.
What are the key properties of 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine?
4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine has a molecular weight of 308.25 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine is sourced from PubChem (CID 14883798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).