(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone

C10H12N4O4 — CID 114090038

IUPAC(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCC(O)C2)c([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N4O4/c11-9-3-7(8(4-12-9)14(17)18)10(16)13-2-1-6(15)5-13/h3-4,6,15H,1-2,5H2,(H2,11,12)
InChIKeyLEWTWFNHVYTCOX-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.22
Rot. Bonds2

About (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone

(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 114090038) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID114090038
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCC(O)C2)c([N+](=O)[O-])cn1
InChIInChI=1S/C10H12N4O4/c11-9-3-7(8(4-12-9)14(17)18)10(16)13-2-1-6(15)5-13/h3-4,6,15H,1-2,5H2,(H2,11,12)
InChIKeyLEWTWFNHVYTCOX-UHFFFAOYSA-N
XLogP-0.22
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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

(4,5-difluoro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916950
(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917930
(5-bromo-2-nitro-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 114194377
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylsulfanyl-2-nitrophenyl)methanone
CID 79031447
(5-amino-4-fluoro-2-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62186321
2-amino-5-nitropyridine-4-carboxylate
CID 71302450
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
(2-bromo-3-nitrophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 113367154
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 103745555
methyl 1-(2-chloro-5-nitropyridine-4-carbonyl)pyrrolidine-3-carboxylate
CID 103733033
(2-amino-5-methyl-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 111778742

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 114090038) is (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1cc(C(=O)N2CCC(O)C2)c([N+](=O)[O-])cn1.
What is the InChIKey of (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is LEWTWFNHVYTCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c11-9-3-7(8(4-12-9)14(17)18)10(16)13-2-1-6(15)5-13/h3-4,6,15H,1-2,5H2,(H2,11,12).
What are the key properties of (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 252.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 114090038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).