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

C9H13N3O3 — CID 175382524

IUPAC4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
SMILESCc1c([N+](=O)[O-])cnc(OC(C)C)c1N
InChIInChI=1S/C9H13N3O3/c1-5(2)15-9-8(10)6(3)7(4-11-9)12(13)14/h4-5H,10H2,1-3H3
InChIKeyABUAUHAGJNLQHN-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.67
Rot. Bonds3

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

4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine (PubChem CID 175382524) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
PubChem CID175382524
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
SMILESCc1c([N+](=O)[O-])cnc(OC(C)C)c1N
InChIInChI=1S/C9H13N3O3/c1-5(2)15-9-8(10)6(3)7(4-11-9)12(13)14/h4-5H,10H2,1-3H3
InChIKeyABUAUHAGJNLQHN-UHFFFAOYSA-N
XLogP1.67
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.67
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

5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxy]propan-1-amine
CID 104508424
N-[2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 113420698
2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
CID 167456886
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
5-methyl-6-propan-2-yloxypyridin-3-amine
CID 62475577
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxymethyl]pentan-3-amine
CID 104508436
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine (CID 175382524) is 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine is Cc1c([N+](=O)[O-])cnc(OC(C)C)c1N.
What is the InChIKey of 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine?
The InChIKey is ABUAUHAGJNLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(2)15-9-8(10)6(3)7(4-11-9)12(13)14/h4-5H,10H2,1-3H3.
What are the key properties of 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine?
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine has a molecular weight of 211.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 175382524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).