4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine

C17H20ClN — CID 66460372

IUPAC4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
SMILESCc1ccccc1CCC(Cl)C(C)c1ccncc1
InChIInChI=1S/C17H20ClN/c1-13-5-3-4-6-15(13)7-8-17(18)14(2)16-9-11-19-12-10-16/h3-6,9-12,14,17H,7-8H2,1-2H3
InChIKeyRZZNZIFMVRWOCC-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.73
Rot. Bonds5

About 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine

4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine (PubChem CID 66460372) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
PubChem CID66460372
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
SMILESCc1ccccc1CCC(Cl)C(C)c1ccncc1
InChIInChI=1S/C17H20ClN/c1-13-5-3-4-6-15(13)7-8-17(18)14(2)16-9-11-19-12-10-16/h3-6,9-12,14,17H,7-8H2,1-2H3
InChIKeyRZZNZIFMVRWOCC-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
[4-(2-methylphenyl)-1-pyridin-4-ylbutan-2-yl]hydrazine
CID 105317453
4-(3-bromo-5-phenylpentan-2-yl)pyridine
CID 66452661
(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol
CID 57225300
4-[2-bromo-4-(2-methylphenyl)butyl]-3-chloropyridine
CID 112656153
1-[(2-methylphenyl)methylsulfanyl]-1-pyridin-4-ylpropan-2-amine
CID 55113260
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
3-chlorohexan-2-ylbenzene
CID 83050941

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine?
The IUPAC name of 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine (CID 66460372) is 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine.
What is the SMILES notation for 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine?
The canonical SMILES for 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine is Cc1ccccc1CCC(Cl)C(C)c1ccncc1.
What is the InChIKey of 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine?
The InChIKey is RZZNZIFMVRWOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-5-3-4-6-15(13)7-8-17(18)14(2)16-9-11-19-12-10-16/h3-6,9-12,14,17H,7-8H2,1-2H3.
What are the key properties of 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine?
4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine has a molecular weight of 273.81 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine is sourced from PubChem (CID 66460372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).