2,3-dichloro-5-(4-pentylphenyl)pyridine

C16H17Cl2N — CID 23190641

IUPAC2,3-dichloro-5-(4-pentylphenyl)pyridine
SMILESCCCCCc1ccc(-c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(17)16(18)19-11-14/h6-11H,2-5H2,1H3
InChIKeyUNUFGTWWOKQCMP-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.79
Rot. Bonds5

About 2,3-dichloro-5-(4-pentylphenyl)pyridine

2,3-dichloro-5-(4-pentylphenyl)pyridine (PubChem CID 23190641) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,3-dichloro-5-(4-pentylphenyl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-5-(4-pentylphenyl)pyridine
PubChem CID23190641
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2,3-dichloro-5-(4-pentylphenyl)pyridine
SMILESCCCCCc1ccc(-c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(17)16(18)19-11-14/h6-11H,2-5H2,1H3
InChIKeyUNUFGTWWOKQCMP-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-pentylphenyl)-5-(4-pentylphenyl)pyrimidine
CID 19007988
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
CID 67842492
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
2-(3-chloro-4-pentoxyphenyl)-5-pentylpyridine
CID 21286197
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(4-pentylphenyl)pyridine?
The IUPAC name of 2,3-dichloro-5-(4-pentylphenyl)pyridine (CID 23190641) is 2,3-dichloro-5-(4-pentylphenyl)pyridine.
What is the SMILES notation for 2,3-dichloro-5-(4-pentylphenyl)pyridine?
The canonical SMILES for 2,3-dichloro-5-(4-pentylphenyl)pyridine is CCCCCc1ccc(-c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2,3-dichloro-5-(4-pentylphenyl)pyridine?
The InChIKey is UNUFGTWWOKQCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(17)16(18)19-11-14/h6-11H,2-5H2,1H3.
What are the key properties of 2,3-dichloro-5-(4-pentylphenyl)pyridine?
2,3-dichloro-5-(4-pentylphenyl)pyridine has a molecular weight of 294.23 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(4-pentylphenyl)pyridine is sourced from PubChem (CID 23190641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).