6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde

C10H10N4O4 — CID 174667460

IUPAC6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde
SMILESO=Cc1cnc(N2CCOCC2)c(N=O)c1N=O
InChIInChI=1S/C10H10N4O4/c15-6-7-5-11-10(9(13-17)8(7)12-16)14-1-3-18-4-2-14/h5-6H,1-4H2
InChIKeyHYDDOFUDMCBDMJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.53
Rot. Bonds4

About 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde

6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde (PubChem CID 174667460) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde
PubChem CID174667460
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde
SMILESO=Cc1cnc(N2CCOCC2)c(N=O)c1N=O
InChIInChI=1S/C10H10N4O4/c15-6-7-5-11-10(9(13-17)8(7)12-16)14-1-3-18-4-2-14/h5-6H,1-4H2
InChIKeyHYDDOFUDMCBDMJ-UHFFFAOYSA-N
XLogP1.53
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 28905472
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
2-morpholin-4-ylpyridine-3,5-diamine
CID 21082858
5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83894699
CID 163530707
CID 163530707
(NZ)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501972
(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 102545545
5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
CID 118070379
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde?
The IUPAC name of 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde (CID 174667460) is 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde.
What is the SMILES notation for 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde?
The canonical SMILES for 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde is O=Cc1cnc(N2CCOCC2)c(N=O)c1N=O.
What is the InChIKey of 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde?
The InChIKey is HYDDOFUDMCBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-6-7-5-11-10(9(13-17)8(7)12-16)14-1-3-18-4-2-14/h5-6H,1-4H2.
What are the key properties of 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde?
6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde has a molecular weight of 250.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde is sourced from PubChem (CID 174667460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).