3-nitro-5-propan-2-yloxypyridin-4-amine

C8H11N3O3 — CID 130057896

IUPAC3-nitro-5-propan-2-yloxypyridin-4-amine
SMILESCC(C)Oc1cncc([N+](=O)[O-])c1N
InChIInChI=1S/C8H11N3O3/c1-5(2)14-7-4-10-3-6(8(7)9)11(12)13/h3-5H,1-2H3,(H2,9,10)
InChIKeySWRMWSFRCBCAGH-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.36
Rot. Bonds3

About 3-nitro-5-propan-2-yloxypyridin-4-amine

3-nitro-5-propan-2-yloxypyridin-4-amine (PubChem CID 130057896) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-nitro-5-propan-2-yloxypyridin-4-amine.

Molecular Properties

Compound Name3-nitro-5-propan-2-yloxypyridin-4-amine
PubChem CID130057896
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-nitro-5-propan-2-yloxypyridin-4-amine
SMILESCC(C)Oc1cncc([N+](=O)[O-])c1N
InChIInChI=1S/C8H11N3O3/c1-5(2)14-7-4-10-3-6(8(7)9)11(12)13/h3-5H,1-2H3,(H2,9,10)
InChIKeySWRMWSFRCBCAGH-UHFFFAOYSA-N
XLogP1.36
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.36
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-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
4-fluoro-2-nitro-5-propan-2-yloxyaniline
CID 125493038
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
propan-2-yl 2-amino-3-nitro-6-propan-2-yloxybenzoate
CID 57221778
2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
CID 167456886
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
3-(4-amino-5-nitro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171870734
4-(bromomethyl)-1-nitro-2-propan-2-yloxybenzene
CID 62115041
(4-nitro-3-propan-2-yloxyphenyl)hydrazine
CID 83002210
4-nitro-3-propan-2-yloxybenzenesulfonamide
CID 83012857
4-(bromomethyl)-2-nitro-1-propan-2-yloxybenzene
CID 43141644
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-nitro-5-propan-2-yloxybenzene-1,4-diamine
CID 140851194

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-propan-2-yloxypyridin-4-amine?
The IUPAC name of 3-nitro-5-propan-2-yloxypyridin-4-amine (CID 130057896) is 3-nitro-5-propan-2-yloxypyridin-4-amine.
What is the SMILES notation for 3-nitro-5-propan-2-yloxypyridin-4-amine?
The canonical SMILES for 3-nitro-5-propan-2-yloxypyridin-4-amine is CC(C)Oc1cncc([N+](=O)[O-])c1N.
What is the InChIKey of 3-nitro-5-propan-2-yloxypyridin-4-amine?
The InChIKey is SWRMWSFRCBCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(2)14-7-4-10-3-6(8(7)9)11(12)13/h3-5H,1-2H3,(H2,9,10).
What are the key properties of 3-nitro-5-propan-2-yloxypyridin-4-amine?
3-nitro-5-propan-2-yloxypyridin-4-amine has a molecular weight of 197.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-propan-2-yloxypyridin-4-amine is sourced from PubChem (CID 130057896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).