(1R)-1-(5-nitro-3-pyridinyl)ethanamine

C7H9N3O2 — CID 96849811

IUPAC(1R)-1-(5-nitro-3-pyridinyl)ethanamine
SMILESC[C@@H](N)c1cncc([N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O2/c1-5(8)6-2-7(10(11)12)4-9-3-6/h2-5H,8H2,1H3/t5-/m1/s1
InChIKeyQSHUEMLZTMPZTJ-RXMQYKEDSA-N
MW167.17 g/mol
LogP1.01
Rot. Bonds2

About (1R)-1-(5-nitro-3-pyridinyl)ethanamine

(1R)-1-(5-nitro-3-pyridinyl)ethanamine (PubChem CID 96849811) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (1R)-1-(5-nitro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-nitro-3-pyridinyl)ethanamine
PubChem CID96849811
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(1R)-1-(5-nitro-3-pyridinyl)ethanamine
SMILESC[C@@H](N)c1cncc([N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O2/c1-5(8)6-2-7(10(11)12)4-9-3-6/h2-5H,8H2,1H3/t5-/m1/s1
InChIKeyQSHUEMLZTMPZTJ-RXMQYKEDSA-N
XLogP1.01
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
5-nitropyridin-3-amine;hydrochloride
CID 53408315
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
3-methyl-5-(5-nitro-3-pyridinyl)pyridine
CID 70542903
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine
CID 68652782
(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
CID 78938194
N-methyl-5-nitropyridine-3-carboxamide
CID 21405292
3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine
CID 70083759

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-nitro-3-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(5-nitro-3-pyridinyl)ethanamine (CID 96849811) is (1R)-1-(5-nitro-3-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-nitro-3-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(5-nitro-3-pyridinyl)ethanamine is C[C@@H](N)c1cncc([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-(5-nitro-3-pyridinyl)ethanamine?
The InChIKey is QSHUEMLZTMPZTJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(8)6-2-7(10(11)12)4-9-3-6/h2-5H,8H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(5-nitro-3-pyridinyl)ethanamine?
(1R)-1-(5-nitro-3-pyridinyl)ethanamine has a molecular weight of 167.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-nitro-3-pyridinyl)ethanamine is sourced from PubChem (CID 96849811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).