2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine

C10H13N3O3 — CID 115585307

IUPAC2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NCC1CCCO1
InChIInChI=1S/C10H13N3O3/c14-13(15)10-9(4-1-5-11-10)12-7-8-3-2-6-16-8/h1,4-5,8,12H,2-3,6-7H2
InChIKeyRVZKAXPYOHGSMY-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.58
Rot. Bonds4

About 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine

2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine (PubChem CID 115585307) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
PubChem CID115585307
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1NCC1CCCO1
InChIInChI=1S/C10H13N3O3/c14-13(15)10-9(4-1-5-11-10)12-7-8-3-2-6-16-8/h1,4-5,8,12H,2-3,6-7H2
InChIKeyRVZKAXPYOHGSMY-UHFFFAOYSA-N
XLogP1.58
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
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

3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 23481517
5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23481607
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 82834810
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
5-nitro-N-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine
CID 82238079
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
5-chloro-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 2915714

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine (CID 115585307) is 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine is O=[N+]([O-])c1ncccc1NCC1CCCO1.
What is the InChIKey of 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine?
The InChIKey is RVZKAXPYOHGSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-13(15)10-9(4-1-5-11-10)12-7-8-3-2-6-16-8/h1,4-5,8,12H,2-3,6-7H2.
What are the key properties of 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine?
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine has a molecular weight of 223.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 115585307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).