1-hexadecyl-2H-pyridine;nitric acid

C21H40N2O3 — CID 14178863

IUPAC1-hexadecyl-2H-pyridine;nitric acid
SMILESCCCCCCCCCCCCCCCCN1C=CC=CC1.O=[N+]([O-])O
InChIInChI=1S/C21H39N.HNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;2-1(3)4/h15,17-18,20H,2-14,16,19,21H2,1H3;(H,2,3,4)
InChIKeyJRCDZZHCHHUWLU-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.51
Rot. Bonds15

About 1-hexadecyl-2H-pyridine;nitric acid

1-hexadecyl-2H-pyridine;nitric acid (PubChem CID 14178863) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-hexadecyl-2H-pyridine;nitric acid.

Molecular Properties

Compound Name1-hexadecyl-2H-pyridine;nitric acid
PubChem CID14178863
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name1-hexadecyl-2H-pyridine;nitric acid
SMILESCCCCCCCCCCCCCCCCN1C=CC=CC1.O=[N+]([O-])O
InChIInChI=1S/C21H39N.HNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;2-1(3)4/h15,17-18,20H,2-14,16,19,21H2,1H3;(H,2,3,4)
InChIKeyJRCDZZHCHHUWLU-UHFFFAOYSA-N
XLogP6.51
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-octyl-2H-pyridine;hydrochloride
CID 69369892
1-hexyl-2H-pyridine;hydrochloride
CID 141192021
1-butyl-2H-pyridine;hydrochloride
CID 141072734
CID 175065585
CID 175065585
aluminum;1-butyl-2H-pyridine;trichloride
CID 175194807
1-hexyl-3-methyl-2H-imidazole;nitric acid
CID 170919718
1-butyl-2H-pyridine;hydron;tetrafluoroborate
CID 174529026
5-(2H-pyridin-1-yl)pentanoic acid
CID 151955101
1-dodecyl-2H-pyridine;1-hexadecylpyridin-1-ium;bis(1-tetradecylpyridin-1-ium);dibromide;chloride;hydrochloride
CID 174994990
1-butyl-2H-pyridine;2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide
CID 175716542
1-butyl-2H-pyridine;2-octylpyridine
CID 175452133
tris(nitric acid);tris(octan-1-amine)
CID 173444772

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-2H-pyridine;nitric acid?
The IUPAC name of 1-hexadecyl-2H-pyridine;nitric acid (CID 14178863) is 1-hexadecyl-2H-pyridine;nitric acid.
What is the SMILES notation for 1-hexadecyl-2H-pyridine;nitric acid?
The canonical SMILES for 1-hexadecyl-2H-pyridine;nitric acid is CCCCCCCCCCCCCCCCN1C=CC=CC1.O=[N+]([O-])O.
What is the InChIKey of 1-hexadecyl-2H-pyridine;nitric acid?
The InChIKey is JRCDZZHCHHUWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N.HNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;2-1(3)4/h15,17-18,20H,2-14,16,19,21H2,1H3;(H,2,3,4).
What are the key properties of 1-hexadecyl-2H-pyridine;nitric acid?
1-hexadecyl-2H-pyridine;nitric acid has a molecular weight of 368.56 g/mol, XLogP of 6.51, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2H-pyridine;nitric acid is sourced from PubChem (CID 14178863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).