6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine

C12H16ClN3O3 — CID 103990720

IUPAC6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCC2CCCCO2)c1
InChIInChI=1S/C12H16ClN3O3/c13-11-7-9(16(17)18)8-12(15-11)14-5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,14,15)
InChIKeyZEKHDQSCBJIEKX-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.01
Rot. Bonds5

About 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine

6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine (PubChem CID 103990720) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
PubChem CID103990720
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCC2CCCCO2)c1
InChIInChI=1S/C12H16ClN3O3/c13-11-7-9(16(17)18)8-12(15-11)14-5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,14,15)
InChIKeyZEKHDQSCBJIEKX-UHFFFAOYSA-N
XLogP3.01
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.01
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

6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
6-nitro-N-[2-(oxan-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 107094551
6-chloro-N-[2-(oxan-2-yl)ethyl]pyrazin-2-amine
CID 103990689
2-bromo-4-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990617
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
CID 103888266
5-nitro-2-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 51076332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine (CID 103990720) is 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCCC2CCCCO2)c1.
What is the InChIKey of 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is ZEKHDQSCBJIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-11-7-9(16(17)18)8-12(15-11)14-5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,14,15).
What are the key properties of 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine?
6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 285.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103990720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).