3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine

C10H13N3O3 — CID 28557215

IUPAC3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC[C@H]1CCCO1
InChIInChI=1S/C10H13N3O3/c14-13(15)9-4-1-5-11-10(9)12-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,11,12)/t8-/m1/s1
InChIKeyKLRBXKGXINREBS-MRVPVSSYSA-N
MW223.23 g/mol
LogP1.58
Rot. Bonds4

About 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine

3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine (PubChem CID 28557215) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
PubChem CID28557215
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC[C@H]1CCCO1
InChIInChI=1S/C10H13N3O3/c14-13(15)9-4-1-5-11-10(9)12-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,11,12)/t8-/m1/s1
InChIKeyKLRBXKGXINREBS-MRVPVSSYSA-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

2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191
N-(1,3-dioxolan-2-ylmethyl)-3-nitropyridin-2-amine;2-N-(1,3-dioxolan-2-ylmethyl)pyridine-2,3-diamine
CID 160851198
3-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]pyridin-2-amine
CID 42950464
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
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
6-chloro-3-nitro-N-[[(2S)-oxetan-2-yl]methyl]pyridin-2-amine
CID 166095090
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine (CID 28557215) is 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine is O=[N+]([O-])c1cccnc1NC[C@H]1CCCO1.
What is the InChIKey of 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine?
The InChIKey is KLRBXKGXINREBS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-13(15)9-4-1-5-11-10(9)12-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,11,12)/t8-/m1/s1.
What are the key properties of 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine?
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-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 3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 28557215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).