(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol

C8H11N3O3 — CID 126999846

IUPAC(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-6(5-12)10-7-3-2-4-9-8(7)11(13)14/h2-4,6,10,12H,5H2,1H3/t6-/m0/s1
InChIKeyNOSOKSBJKLESSD-LURJTMIESA-N
MW197.19 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol

(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol (PubChem CID 126999846) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
PubChem CID126999846
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-6(5-12)10-7-3-2-4-9-8(7)11(13)14/h2-4,6,10,12H,5H2,1H3/t6-/m0/s1
InChIKeyNOSOKSBJKLESSD-LURJTMIESA-N
XLogP0.78
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.78
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-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460
1-N,1-N-dimethyl-3-N-(2-nitro-3-pyridinyl)butane-1,3-diamine
CID 113227932
3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol
CID 115644164
2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 112685164
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
N-methyl-2-nitropyridin-3-amine
CID 555983
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
2-(3-fluoro-2-nitroanilino)propan-1-ol
CID 60789950
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol (CID 126999846) is (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol is C[C@@H](CO)Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol?
The InChIKey is NOSOKSBJKLESSD-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O3/c1-6(5-12)10-7-3-2-4-9-8(7)11(13)14/h2-4,6,10,12H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol?
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol has a molecular weight of 197.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 126999846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).