4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine

C11H12N4O3 — CID 67155951

IUPAC4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
SMILESO=[N+]([O-])c1cnc2[nH]cc(N3CCOCC3)c2c1
InChIInChI=1S/C11H12N4O3/c16-15(17)8-5-9-10(7-13-11(9)12-6-8)14-1-3-18-4-2-14/h5-7H,1-4H2,(H,12,13)
InChIKeyBIBBSGAZDSFEPK-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.31
Rot. Bonds2

About 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine

4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine (PubChem CID 67155951) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
PubChem CID67155951
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
SMILESO=[N+]([O-])c1cnc2[nH]cc(N3CCOCC3)c2c1
InChIInChI=1S/C11H12N4O3/c16-15(17)8-5-9-10(7-13-11(9)12-6-8)14-1-3-18-4-2-14/h5-7H,1-4H2,(H,12,13)
InChIKeyBIBBSGAZDSFEPK-UHFFFAOYSA-N
XLogP1.31
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
5-nitro-2-(1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 114046762
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
CID 86710739
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
morpholine;4-morpholin-4-yl-7-nitro-1H-quinolin-2-one
CID 158641955
(2-morpholin-4-yl-5-nitrophenyl) hydrogen sulfite
CID 57221693
2-morpholin-4-yl-4-nitrobenzamide
CID 118024291
N-(5-morpholin-4-ylisoquinolin-8-yl)-4-nitrobenzamide
CID 17475479

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine?
The IUPAC name of 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine (CID 67155951) is 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine.
What is the SMILES notation for 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine?
The canonical SMILES for 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine is O=[N+]([O-])c1cnc2[nH]cc(N3CCOCC3)c2c1.
What is the InChIKey of 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine?
The InChIKey is BIBBSGAZDSFEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-15(17)8-5-9-10(7-13-11(9)12-6-8)14-1-3-18-4-2-14/h5-7H,1-4H2,(H,12,13).
What are the key properties of 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine?
4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine has a molecular weight of 248.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine is sourced from PubChem (CID 67155951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).