6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine

C14H20ClN3O3 — CID 103889061

IUPAC6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
SMILESCCC1(CC)CC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CCO1
InChIInChI=1S/C14H20ClN3O3/c1-3-14(4-2)9-10(5-6-21-14)16-13-8-11(18(19)20)7-12(15)17-13/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyUOTBEZKZUQVSLG-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.79
Rot. Bonds5

About 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine

6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine (PubChem CID 103889061) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
PubChem CID103889061
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
SMILESCCC1(CC)CC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CCO1
InChIInChI=1S/C14H20ClN3O3/c1-3-14(4-2)9-10(5-6-21-14)16-13-8-11(18(19)20)7-12(15)17-13/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyUOTBEZKZUQVSLG-UHFFFAOYSA-N
XLogP3.79
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-N-(2,2-diethyloxan-4-yl)-4-nitrobenzene-1,2-diamine
CID 83035182
N-(3-chloro-2-nitrophenyl)-2,2-diethyloxan-4-amine
CID 104836068
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052
6-N-(2,2-diethyloxan-4-yl)pyridine-2,3,6-triamine
CID 83026937
1-N-(2,2-diethyloxan-4-yl)-4-nitrobenzene-1,3-diamine
CID 106749518
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
CID 104695824
N-(2,2-diethyloxan-4-yl)-6-fluoropyridin-2-amine
CID 82759898
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580
N-(2,2-diethyloxan-4-yl)-2-methylpyrimidin-4-amine
CID 82760302
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine (CID 103889061) is 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine is CCC1(CC)CC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CCO1.
What is the InChIKey of 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine?
The InChIKey is UOTBEZKZUQVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-3-14(4-2)9-10(5-6-21-14)16-13-8-11(18(19)20)7-12(15)17-13/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine?
6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine has a molecular weight of 313.79 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 103889061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).