N-(cyclopropylmethyl)-2-nitropyridin-3-amine

C9H11N3O2 — CID 119030468

IUPACN-(cyclopropylmethyl)-2-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NCC1CC1
InChIInChI=1S/C9H11N3O2/c13-12(14)9-8(2-1-5-10-9)11-6-7-3-4-7/h1-2,5,7,11H,3-4,6H2
InChIKeyZECCYBNFGDWWHL-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.81
Rot. Bonds4

About N-(cyclopropylmethyl)-2-nitropyridin-3-amine

N-(cyclopropylmethyl)-2-nitropyridin-3-amine (PubChem CID 119030468) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-nitropyridin-3-amine
PubChem CID119030468
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(cyclopropylmethyl)-2-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NCC1CC1
InChIInChI=1S/C9H11N3O2/c13-12(14)9-8(2-1-5-10-9)11-6-7-3-4-7/h1-2,5,7,11H,3-4,6H2
InChIKeyZECCYBNFGDWWHL-UHFFFAOYSA-N
XLogP1.81
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.81
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

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
CID 113224848
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
CID 104540743
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
2-chloro-N-(cyclopropylmethyl)pyridin-3-amine
CID 43690086
N-methyl-2-nitropyridin-3-amine
CID 555983
2-nitro-N-pent-4-ynylpyridin-3-amine
CID 103704442
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-nitropyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-nitropyridin-3-amine (CID 119030468) is N-(cyclopropylmethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-nitropyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-nitropyridin-3-amine is O=[N+]([O-])c1ncccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-nitropyridin-3-amine?
The InChIKey is ZECCYBNFGDWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-12(14)9-8(2-1-5-10-9)11-6-7-3-4-7/h1-2,5,7,11H,3-4,6H2.
What are the key properties of N-(cyclopropylmethyl)-2-nitropyridin-3-amine?
N-(cyclopropylmethyl)-2-nitropyridin-3-amine has a molecular weight of 193.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 119030468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).