6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine

C11H15ClN4O3 — CID 113345971

IUPAC6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCN2CCOCC2)c1
InChIInChI=1S/C11H15ClN4O3/c12-10-7-9(16(17)18)8-11(14-10)13-1-2-15-3-5-19-6-4-15/h7-8H,1-6H2,(H,13,14)
InChIKeyCCKYHPGLAYNZML-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.39
Rot. Bonds5

About 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine

6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine (PubChem CID 113345971) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
PubChem CID113345971
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCN2CCOCC2)c1
InChIInChI=1S/C11H15ClN4O3/c12-10-7-9(16(17)18)8-11(14-10)13-1-2-15-3-5-19-6-4-15/h7-8H,1-6H2,(H,13,14)
InChIKeyCCKYHPGLAYNZML-UHFFFAOYSA-N
XLogP1.39
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
CID 103888266
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
1-N-methyl-3-N-(2-morpholin-4-ylethyl)-5-nitrobenzene-1,3-diamine
CID 80777688
6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 103990720
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
CID 103911595
N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophen-2-amine
CID 101493973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine (CID 113345971) is 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCCN2CCOCC2)c1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine?
The InChIKey is CCKYHPGLAYNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c12-10-7-9(16(17)18)8-11(14-10)13-1-2-15-3-5-19-6-4-15/h7-8H,1-6H2,(H,13,14).
What are the key properties of 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine?
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine has a molecular weight of 286.72 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 113345971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).