3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine

C7H10N4O2 — CID 131043079

IUPAC3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
SMILESC[C@H](N)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C7H10N4O2/c1-4(8)6-2-5(11(12)13)3-10-7(6)9/h2-4H,8H2,1H3,(H2,9,10)/t4-/m0/s1
InChIKeyPPJUHFVCDBJYJV-BYPYZUCNSA-N
MW182.18 g/mol
LogP0.59
Rot. Bonds2

About 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine

3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine (PubChem CID 131043079) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
PubChem CID131043079
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
SMILESC[C@H](N)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C7H10N4O2/c1-4(8)6-2-5(11(12)13)3-10-7(6)9/h2-4H,8H2,1H3,(H2,9,10)/t4-/m0/s1
InChIKeyPPJUHFVCDBJYJV-BYPYZUCNSA-N
XLogP0.59
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
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

(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol
CID 144975049
(1R)-1-(5-nitro-3-pyridinyl)ethanamine
CID 96849811
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
methyl 4-(2-amino-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896095
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-[(1S)-1-aminoethyl]-4-nitrophenol;hydrochloride
CID 171217252
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine
CID 159158940
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-(1-aminoethyl)-6-fluoro-4-nitrophenol
CID 117289050
3,5-dinitro-N-propan-2-ylpyridin-2-amine
CID 162519856
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine (CID 131043079) is 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine is C[C@H](N)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine?
The InChIKey is PPJUHFVCDBJYJV-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4(8)6-2-5(11(12)13)3-10-7(6)9/h2-4H,8H2,1H3,(H2,9,10)/t4-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine?
3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine has a molecular weight of 182.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 131043079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).