(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine

C9H13N3O2 — CID 130624745

IUPAC(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N3O2/c1-3-7(10)8-4-6(2)9(5-11-8)12(13)14/h4-5,7H,3,10H2,1-2H3/t7-/m0/s1
InChIKeyGGHSTEINYVRIGO-ZETCQYMHSA-N
MW195.22 g/mol
LogP1.71
Rot. Bonds3

About (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine

(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine (PubChem CID 130624745) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
PubChem CID130624745
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N3O2/c1-3-7(10)8-4-6(2)9(5-11-8)12(13)14/h4-5,7H,3,10H2,1-2H3/t7-/m0/s1
InChIKeyGGHSTEINYVRIGO-ZETCQYMHSA-N
XLogP1.71
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.71
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

(1S)-1-(5-methyl-3-nitro-2-pyridinyl)propan-1-amine
CID 130610698
2-(2-chloro-4-methylpentan-3-yl)-4-methyl-5-nitropyridine
CID 79175719
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
2-(2-chlorobutyl)-4-methyl-5-nitropyridine
CID 79176104
4-methyl-2-(4-methyl-5-nitro-2-pyridinyl)pentanoic acid
CID 104571708
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103937946
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 115669183
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine (CID 130624745) is (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine is CC[C@H](N)c1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine?
The InChIKey is GGHSTEINYVRIGO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7(10)8-4-6(2)9(5-11-8)12(13)14/h4-5,7H,3,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine?
(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine has a molecular weight of 195.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 130624745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).