[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine

C10H14N4O3 — CID 114399426

IUPAC[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccncc2[N+](=O)[O-])CCO1
InChIInChI=1S/C10H14N4O3/c11-5-8-7-13(3-4-17-8)9-1-2-12-6-10(9)14(15)16/h1-2,6,8H,3-5,7,11H2
InChIKeyXOPRMZTVKDLOTR-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.15
Rot. Bonds3

About [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine

[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine (PubChem CID 114399426) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
PubChem CID114399426
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccncc2[N+](=O)[O-])CCO1
InChIInChI=1S/C10H14N4O3/c11-5-8-7-13(3-4-17-8)9-1-2-12-6-10(9)14(15)16/h1-2,6,8H,3-5,7,11H2
InChIKeyXOPRMZTVKDLOTR-UHFFFAOYSA-N
XLogP0.15
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(8-nitroquinolin-5-yl)morpholin-2-yl]methanamine
CID 114399511
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
[4-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)morpholin-2-yl]methanamine
CID 114399381
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 115300967
3-(3-nitro-4-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314559
[4-[2-(difluoromethyl)-4-nitrophenyl]morpholin-2-yl]methanamine
CID 114399445
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
1-(3-nitro-4-pyridinyl)piperidin-4-one
CID 28889589
4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308
[4-(5-nitro-1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine
CID 114399352

Frequently Asked Questions

What is the IUPAC name of [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine (CID 114399426) is [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine is NCC1CN(c2ccncc2[N+](=O)[O-])CCO1.
What is the InChIKey of [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine?
The InChIKey is XOPRMZTVKDLOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-5-8-7-13(3-4-17-8)9-1-2-12-6-10(9)14(15)16/h1-2,6,8H,3-5,7,11H2.
What are the key properties of [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine?
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine has a molecular weight of 238.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114399426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).