1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol

C13H19FN4O4 — CID 126823745

IUPAC1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)c1ccnc(F)c1[N+](=O)[O-]
InChIInChI=1S/C13H19FN4O4/c1-16(8-10(19)9-17-4-6-22-7-5-17)11-2-3-15-13(14)12(11)18(20)21/h2-3,10,19H,4-9H2,1H3
InChIKeyAWGHOZXURRYGHY-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.26
Rot. Bonds6

About 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 126823745) has the molecular formula C13H19FN4O4 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID126823745
Molecular FormulaC13H19FN4O4
Molecular Weight314.32 g/mol
Exact Mass314.14
IUPAC Name1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)c1ccnc(F)c1[N+](=O)[O-]
InChIInChI=1S/C13H19FN4O4/c1-16(8-10(19)9-17-4-6-22-7-5-17)11-2-3-15-13(14)12(11)18(20)21/h2-3,10,19H,4-9H2,1H3
InChIKeyAWGHOZXURRYGHY-UHFFFAOYSA-N
XLogP0.26
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2R)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658986
(2S)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658997
1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 133368837
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
CID 111912534
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 109411165
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide
CID 1421082
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 166210641

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 126823745) is 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(CC(O)CN1CCOCC1)c1ccnc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is AWGHOZXURRYGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O4/c1-16(8-10(19)9-17-4-6-22-7-5-17)11-2-3-15-13(14)12(11)18(20)21/h2-3,10,19H,4-9H2,1H3.
What are the key properties of 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 314.32 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitro-4-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 126823745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).