2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile

C10H11N5O2 — CID 82813337

IUPAC2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N)C2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c11-5-7-1-3-13-10(9(7)15(16)17)14-4-2-8(12)6-14/h1,3,8H,2,4,6,12H2
InChIKeyLYDDOUVKUGDSKV-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.40
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile

2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile (PubChem CID 82813337) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
PubChem CID82813337
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N)C2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c11-5-7-1-3-13-10(9(7)15(16)17)14-4-2-8(12)6-14/h1,3,8H,2,4,6,12H2
InChIKeyLYDDOUVKUGDSKV-UHFFFAOYSA-N
XLogP0.40
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.40
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

2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82812818
2-[3-(methylamino)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813658
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82812928
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
2-(3-hydroxy-3-methylazetidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813244
2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitropyridine-4-carbonitrile
CID 133362932
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-4-carbonitrile
CID 75517737
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 75434089
2-[(3S)-3-aminopyrrolidin-1-yl]-5-nitrobenzonitrile
CID 67060532
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813140
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile (CID 82813337) is 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(N)C2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile?
The InChIKey is LYDDOUVKUGDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-5-7-1-3-13-10(9(7)15(16)17)14-4-2-8(12)6-14/h1,3,8H,2,4,6,12H2.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile?
2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile has a molecular weight of 233.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 82813337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).