3-nitro-6-propan-2-yloxypyridin-2-amine

C8H11N3O3 — CID 14551122

IUPAC3-nitro-6-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C8H11N3O3/c1-5(2)14-7-4-3-6(11(12)13)8(9)10-7/h3-5H,1-2H3,(H2,9,10)
InChIKeyBCOOEWOYEUUDNW-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.36
Rot. Bonds3

About 3-nitro-6-propan-2-yloxypyridin-2-amine

3-nitro-6-propan-2-yloxypyridin-2-amine (PubChem CID 14551122) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-nitro-6-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name3-nitro-6-propan-2-yloxypyridin-2-amine
PubChem CID14551122
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-nitro-6-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C8H11N3O3/c1-5(2)14-7-4-3-6(11(12)13)8(9)10-7/h3-5H,1-2H3,(H2,9,10)
InChIKeyBCOOEWOYEUUDNW-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

CID 157299402
CID 157299402
3-nitro-6-(trideuteriomethoxy)pyridin-2-amine;6-(trideuteriomethoxy)pyridine-2,3-diamine
CID 161242232
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
CID 79815802
6-(2-cyclopropylethoxy)-3-nitropyridin-2-amine
CID 106207381
6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
CID 106485412
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
CID 114158193
6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine
CID 79827977
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
methyl 3-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 79828136

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-propan-2-yloxypyridin-2-amine?
The IUPAC name of 3-nitro-6-propan-2-yloxypyridin-2-amine (CID 14551122) is 3-nitro-6-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 3-nitro-6-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 3-nitro-6-propan-2-yloxypyridin-2-amine is CC(C)Oc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 3-nitro-6-propan-2-yloxypyridin-2-amine?
The InChIKey is BCOOEWOYEUUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(2)14-7-4-3-6(11(12)13)8(9)10-7/h3-5H,1-2H3,(H2,9,10).
What are the key properties of 3-nitro-6-propan-2-yloxypyridin-2-amine?
3-nitro-6-propan-2-yloxypyridin-2-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-6-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 14551122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).