4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide

C14H15IN2O2 — CID 174146036

IUPAC4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
SMILESI.O=[N+]([O-])c1cccc(CCCc2ccncc2)c1
InChIInChI=1S/C14H14N2O2.HI/c17-16(18)14-6-2-5-13(11-14)4-1-3-12-7-9-15-10-8-12;/h2,5-11H,1,3-4H2;1H
InChIKeyBYIPCEFJJACCIE-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.78
Rot. Bonds5

About 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide

4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide (PubChem CID 174146036) has the molecular formula C14H15IN2O2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide.

Molecular Properties

Compound Name4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
PubChem CID174146036
Molecular FormulaC14H15IN2O2
Molecular Weight370.19 g/mol
Exact Mass370.02
IUPAC Name4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
SMILESI.O=[N+]([O-])c1cccc(CCCc2ccncc2)c1
InChIInChI=1S/C14H14N2O2.HI/c17-16(18)14-6-2-5-13(11-14)4-1-3-12-7-9-15-10-8-12;/h2,5-11H,1,3-4H2;1H
InChIKeyBYIPCEFJJACCIE-UHFFFAOYSA-N
XLogP3.78
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

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CID 53237888
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CID 157363920
8-(3-nitrophenyl)octanoic acid
CID 57120738
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
O-[2-(3-nitrophenyl)ethyl]hydroxylamine
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6-(3-nitrophenyl)-3-oxohexanoic acid
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4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine
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nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
N'-ethyl-N-(3-nitrophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108513324
3-nitro-5-(3-pyridin-3-ylpropyl)aniline
CID 173252206
bis(3-pyridin-4-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 25140142

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide?
The IUPAC name of 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide (CID 174146036) is 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide.
What is the SMILES notation for 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide?
The canonical SMILES for 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide is I.O=[N+]([O-])c1cccc(CCCc2ccncc2)c1.
What is the InChIKey of 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide?
The InChIKey is BYIPCEFJJACCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.HI/c17-16(18)14-6-2-5-13(11-14)4-1-3-12-7-9-15-10-8-12;/h2,5-11H,1,3-4H2;1H.
What are the key properties of 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide?
4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide has a molecular weight of 370.19 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide is sourced from PubChem (CID 174146036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).