2-chloro-4-hexadecylpyridine

C21H36ClN — CID 170566187

IUPAC2-chloro-4-hexadecylpyridine
SMILESCCCCCCCCCCCCCCCCc1ccnc(Cl)c1
InChIInChI=1S/C21H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-23-21(22)19-20/h17-19H,2-16H2,1H3
InChIKeyQJCGZBFSDASITL-UHFFFAOYSA-N
MW337.98 g/mol
LogP7.76
Rot. Bonds15

About 2-chloro-4-hexadecylpyridine

2-chloro-4-hexadecylpyridine (PubChem CID 170566187) has the molecular formula C21H36ClN and a molecular weight of 337.98 g/mol. Its IUPAC name is 2-chloro-4-hexadecylpyridine.

Molecular Properties

Compound Name2-chloro-4-hexadecylpyridine
PubChem CID170566187
Molecular FormulaC21H36ClN
Molecular Weight337.98 g/mol
Exact Mass337.25
IUPAC Name2-chloro-4-hexadecylpyridine
SMILESCCCCCCCCCCCCCCCCc1ccnc(Cl)c1
InChIInChI=1S/C21H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-23-21(22)19-20/h17-19H,2-16H2,1H3
InChIKeyQJCGZBFSDASITL-UHFFFAOYSA-N
XLogP7.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.98
LogP ≤ 57.76
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-chloro-4-pentadecylpyridine
CID 174517606
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-chloro-N,N-bis(4-pentylphenyl)pyridin-4-amine
CID 118346908
(4-octyl-2-pyridinyl)methanol
CID 156538031
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
4-docosylpyridine-2-carboxylic acid
CID 174759337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hexadecylpyridine?
The IUPAC name of 2-chloro-4-hexadecylpyridine (CID 170566187) is 2-chloro-4-hexadecylpyridine.
What is the SMILES notation for 2-chloro-4-hexadecylpyridine?
The canonical SMILES for 2-chloro-4-hexadecylpyridine is CCCCCCCCCCCCCCCCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-hexadecylpyridine?
The InChIKey is QJCGZBFSDASITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-23-21(22)19-20/h17-19H,2-16H2,1H3.
What are the key properties of 2-chloro-4-hexadecylpyridine?
2-chloro-4-hexadecylpyridine has a molecular weight of 337.98 g/mol, XLogP of 7.76, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hexadecylpyridine is sourced from PubChem (CID 170566187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).