4-(4-chlorophenyl)-2-pentylpyridine

C16H18ClN — CID 146458832

IUPAC4-(4-chlorophenyl)-2-pentylpyridine
SMILESCCCCCc1cc(-c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C16H18ClN/c1-2-3-4-5-16-12-14(10-11-18-16)13-6-8-15(17)9-7-13/h6-12H,2-5H2,1H3
InChIKeyYVHGTPPORXBFLI-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.13
Rot. Bonds5

About 4-(4-chlorophenyl)-2-pentylpyridine

4-(4-chlorophenyl)-2-pentylpyridine (PubChem CID 146458832) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-pentylpyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-pentylpyridine
PubChem CID146458832
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-(4-chlorophenyl)-2-pentylpyridine
SMILESCCCCCc1cc(-c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C16H18ClN/c1-2-3-4-5-16-12-14(10-11-18-16)13-6-8-15(17)9-7-13/h6-12H,2-5H2,1H3
InChIKeyYVHGTPPORXBFLI-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-heptylpyridine
CID 166820805
4-tert-butyl-2-pentylpyridine
CID 129189676
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
4-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
2-tetradecylpyridine-4-carbonyl chloride
CID 154124340
4-(2-propyl-4-pyridinyl)benzenesulfonic acid
CID 21452097
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
4-(4-chlorophenyl)-N,N-dimethylpyridin-2-amine
CID 178109992
2,3-dichloro-5-(4-pentylphenyl)pyridine
CID 23190641
4-(4-butylphenyl)-2-methylpyridine
CID 154955904
4,6-dihexadecylpyrimidine
CID 91309058
4,6-di(pentadecyl)pyrimidine
CID 91242686

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-pentylpyridine?
The IUPAC name of 4-(4-chlorophenyl)-2-pentylpyridine (CID 146458832) is 4-(4-chlorophenyl)-2-pentylpyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-pentylpyridine?
The canonical SMILES for 4-(4-chlorophenyl)-2-pentylpyridine is CCCCCc1cc(-c2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-pentylpyridine?
The InChIKey is YVHGTPPORXBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-2-3-4-5-16-12-14(10-11-18-16)13-6-8-15(17)9-7-13/h6-12H,2-5H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-pentylpyridine?
4-(4-chlorophenyl)-2-pentylpyridine has a molecular weight of 259.78 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-pentylpyridine is sourced from PubChem (CID 146458832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).