3-(pyridin-4-ylamino)propyl hypoiodite

C8H11IN2O — CID 143003434

IUPAC3-(pyridin-4-ylamino)propyl hypoiodite
SMILESIOCCCNc1ccncc1
InChIInChI=1S/C8H11IN2O/c9-12-7-1-4-11-8-2-5-10-6-3-8/h2-3,5-6H,1,4,7H2,(H,10,11)
InChIKeyBRQNGWQIBYYPLE-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.25
Rot. Bonds5

About 3-(pyridin-4-ylamino)propyl hypoiodite

3-(pyridin-4-ylamino)propyl hypoiodite (PubChem CID 143003434) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 3-(pyridin-4-ylamino)propyl hypoiodite.

Molecular Properties

Compound Name3-(pyridin-4-ylamino)propyl hypoiodite
PubChem CID143003434
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name3-(pyridin-4-ylamino)propyl hypoiodite
SMILESIOCCCNc1ccncc1
InChIInChI=1S/C8H11IN2O/c9-12-7-1-4-11-8-2-5-10-6-3-8/h2-3,5-6H,1,4,7H2,(H,10,11)
InChIKeyBRQNGWQIBYYPLE-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
N-(15,15-dimethylhexadecyl)pyridin-4-amine
CID 173437597
4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
CID 115205190
N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
CID 63767044
N-(iodomethyl)pyridin-4-amine
CID 153167423
1-N-pyridin-4-ylpentane-1,4-diamine
CID 106127738
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 115689729
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylamino)propyl hypoiodite?
The IUPAC name of 3-(pyridin-4-ylamino)propyl hypoiodite (CID 143003434) is 3-(pyridin-4-ylamino)propyl hypoiodite.
What is the SMILES notation for 3-(pyridin-4-ylamino)propyl hypoiodite?
The canonical SMILES for 3-(pyridin-4-ylamino)propyl hypoiodite is IOCCCNc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylamino)propyl hypoiodite?
The InChIKey is BRQNGWQIBYYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c9-12-7-1-4-11-8-2-5-10-6-3-8/h2-3,5-6H,1,4,7H2,(H,10,11).
What are the key properties of 3-(pyridin-4-ylamino)propyl hypoiodite?
3-(pyridin-4-ylamino)propyl hypoiodite has a molecular weight of 278.09 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylamino)propyl hypoiodite is sourced from PubChem (CID 143003434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).