2-tetradecylpyridine-4-carbonyl chloride

C20H32ClNO — CID 154124340

IUPAC2-tetradecylpyridine-4-carbonyl chloride
SMILESCCCCCCCCCCCCCCc1cc(C(=O)Cl)ccn1
InChIInChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17-18(20(21)23)15-16-22-19/h15-17H,2-14H2,1H3
InChIKeyMIVHEOFEWFUVGH-UHFFFAOYSA-N
MW337.94 g/mol
LogP6.70
Rot. Bonds14

About 2-tetradecylpyridine-4-carbonyl chloride

2-tetradecylpyridine-4-carbonyl chloride (PubChem CID 154124340) has the molecular formula C20H32ClNO and a molecular weight of 337.94 g/mol. Its IUPAC name is 2-tetradecylpyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-tetradecylpyridine-4-carbonyl chloride
PubChem CID154124340
Molecular FormulaC20H32ClNO
Molecular Weight337.94 g/mol
Exact Mass337.22
IUPAC Name2-tetradecylpyridine-4-carbonyl chloride
SMILESCCCCCCCCCCCCCCc1cc(C(=O)Cl)ccn1
InChIInChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17-18(20(21)23)15-16-22-19/h15-17H,2-14H2,1H3
InChIKeyMIVHEOFEWFUVGH-UHFFFAOYSA-N
XLogP6.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylpyridine-4-carbonyl chloride
CID 45081393
4-chloro-2-heptylpyridine
CID 166820805
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
4-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
octyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325028
4-tert-butyl-2-pentylpyridine
CID 129189676
4-(5,6-dimethylhepta-1,4,6-trien-2-yl)-2-pentylpyridine
CID 123193848
2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
CID 10494761
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-(4-chlorophenyl)-2-pentylpyridine
CID 146458832
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522

Frequently Asked Questions

What is the IUPAC name of 2-tetradecylpyridine-4-carbonyl chloride?
The IUPAC name of 2-tetradecylpyridine-4-carbonyl chloride (CID 154124340) is 2-tetradecylpyridine-4-carbonyl chloride.
What is the SMILES notation for 2-tetradecylpyridine-4-carbonyl chloride?
The canonical SMILES for 2-tetradecylpyridine-4-carbonyl chloride is CCCCCCCCCCCCCCc1cc(C(=O)Cl)ccn1.
What is the InChIKey of 2-tetradecylpyridine-4-carbonyl chloride?
The InChIKey is MIVHEOFEWFUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17-18(20(21)23)15-16-22-19/h15-17H,2-14H2,1H3.
What are the key properties of 2-tetradecylpyridine-4-carbonyl chloride?
2-tetradecylpyridine-4-carbonyl chloride has a molecular weight of 337.94 g/mol, XLogP of 6.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecylpyridine-4-carbonyl chloride is sourced from PubChem (CID 154124340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).