4-nitro-N-(oxan-3-yl)pyridin-2-amine

C10H13N3O3 — CID 63363722

IUPAC4-nitro-N-(oxan-3-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(NC2CCCOC2)c1
InChIInChI=1S/C10H13N3O3/c14-13(15)9-3-4-11-10(6-9)12-8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7H2,(H,11,12)
InChIKeyCQHAHGZAXQOPOW-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.58
Rot. Bonds3

About 4-nitro-N-(oxan-3-yl)pyridin-2-amine

4-nitro-N-(oxan-3-yl)pyridin-2-amine (PubChem CID 63363722) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-nitro-N-(oxan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-nitro-N-(oxan-3-yl)pyridin-2-amine
PubChem CID63363722
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-nitro-N-(oxan-3-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccnc(NC2CCCOC2)c1
InChIInChI=1S/C10H13N3O3/c14-13(15)9-3-4-11-10(6-9)12-8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7H2,(H,11,12)
InChIKeyCQHAHGZAXQOPOW-UHFFFAOYSA-N
XLogP1.58
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
3-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 55146536
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
CID 115025286
N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine
CID 106996198
3-bromo-5-nitro-N-[(3R)-oxan-3-yl]pyridin-2-amine
CID 96570726
N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
CID 80914766
5-bromo-3-nitro-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 169093551
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778
N-(4-bromo-3-nitrophenyl)oxan-3-amine
CID 79767288
2-iodo-5-nitro-N-(oxan-3-yl)benzamide
CID 63363525

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(oxan-3-yl)pyridin-2-amine?
The IUPAC name of 4-nitro-N-(oxan-3-yl)pyridin-2-amine (CID 63363722) is 4-nitro-N-(oxan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-nitro-N-(oxan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-nitro-N-(oxan-3-yl)pyridin-2-amine is O=[N+]([O-])c1ccnc(NC2CCCOC2)c1.
What is the InChIKey of 4-nitro-N-(oxan-3-yl)pyridin-2-amine?
The InChIKey is CQHAHGZAXQOPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-13(15)9-3-4-11-10(6-9)12-8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7H2,(H,11,12).
What are the key properties of 4-nitro-N-(oxan-3-yl)pyridin-2-amine?
4-nitro-N-(oxan-3-yl)pyridin-2-amine has a molecular weight of 223.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(oxan-3-yl)pyridin-2-amine is sourced from PubChem (CID 63363722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).