(2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol

C9H13N3O3 — CID 118080445

IUPAC(2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(NC[C@@H](C)O)n1
InChIInChI=1S/C9H13N3O3/c1-6-3-4-8(12(14)15)9(11-6)10-5-7(2)13/h3-4,7,13H,5H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyLJVFANYXKQHFRE-SSDOTTSWSA-N
MW211.22 g/mol
LogP1.09
Rot. Bonds4

About (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol

(2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 118080445) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID118080445
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(NC[C@@H](C)O)n1
InChIInChI=1S/C9H13N3O3/c1-6-3-4-8(12(14)15)9(11-6)10-5-7(2)13/h3-4,7,13H,5H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyLJVFANYXKQHFRE-SSDOTTSWSA-N
XLogP1.09
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol (CID 118080445) is (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol is Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)O)n1.
What is the InChIKey of (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is LJVFANYXKQHFRE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-3-4-8(12(14)15)9(11-6)10-5-7(2)13/h3-4,7,13H,5H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
(2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 211.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 118080445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).