3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine

C10H14BrN3O3 — CID 113428729

IUPAC3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
SMILESCC(C)OCCNc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C10H14BrN3O3/c1-7(2)17-4-3-13-10-8(11)5-12-6-9(10)14(15)16/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyZHYDMIAXCYMFDP-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.59
Rot. Bonds6

About 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine

3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine (PubChem CID 113428729) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
PubChem CID113428729
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
SMILESCC(C)OCCNc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C10H14BrN3O3/c1-7(2)17-4-3-13-10-8(11)5-12-6-9(10)14(15)16/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyZHYDMIAXCYMFDP-UHFFFAOYSA-N
XLogP2.59
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 103519566
3-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
N-[2-(4-aminocyclohexyl)oxyethyl]-3-bromo-5-nitropyridin-4-amine
CID 103519602
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitropyridin-4-amine
CID 103877894
N'-(3-bromo-5-nitro-4-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 103519567
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 103877965
3-bromo-N-[(4-methylcyclohexyl)methyl]-5-nitropyridin-4-amine
CID 103519370
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyridin-4-amine
CID 71908121
1-[(3-bromo-5-nitro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253550
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-bromo-5-nitropyridin-4-amine
CID 103519650
2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide
CID 103877884

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine (CID 113428729) is 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine is CC(C)OCCNc1c(Br)cncc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
The InChIKey is ZHYDMIAXCYMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-7(2)17-4-3-13-10-8(11)5-12-6-9(10)14(15)16/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine?
3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine has a molecular weight of 304.14 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine is sourced from PubChem (CID 113428729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).