3-nitro-4-pentoxypyridin-2-amine

C10H15N3O3 — CID 67636767

IUPAC3-nitro-4-pentoxypyridin-2-amine
SMILESCCCCCOc1ccnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-3-4-7-16-8-5-6-12-10(11)9(8)13(14)15/h5-6H,2-4,7H2,1H3,(H2,11,12)
InChIKeyCUDADDSNVTXBIH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.14
Rot. Bonds6

About 3-nitro-4-pentoxypyridin-2-amine

3-nitro-4-pentoxypyridin-2-amine (PubChem CID 67636767) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-nitro-4-pentoxypyridin-2-amine.

Molecular Properties

Compound Name3-nitro-4-pentoxypyridin-2-amine
PubChem CID67636767
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-nitro-4-pentoxypyridin-2-amine
SMILESCCCCCOc1ccnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-3-4-7-16-8-5-6-12-10(11)9(8)13(14)15/h5-6H,2-4,7H2,1H3,(H2,11,12)
InChIKeyCUDADDSNVTXBIH-UHFFFAOYSA-N
XLogP2.14
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.14
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

2-nitro-1,3-dioctoxybenzene
CID 537243
2-chloro-3-nitro-4-propoxypyridine
CID 160997420
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
CID 91101107
2-amino-3-nitro-N-pentylpyridine-4-carboxamide
CID 67636617
3-decoxy-2-nitropyridine
CID 152620226
3-hexoxy-N-methyl-2-nitroaniline
CID 80860852
N-ethyl-3-heptoxy-2-nitroaniline
CID 80861681
1,2-dihexadecoxy-4,5-dinitrobenzene
CID 56641644
4-methyl-2-nitro-1-octoxybenzene
CID 11708750
1,8-dinitro-2,3,6,7,10,11-hexa(undecoxy)triphenylene
CID 102112101
1-nitro-2,3,6,7,10,11-hexapentoxytriphenylene
CID 15488138

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-pentoxypyridin-2-amine?
The IUPAC name of 3-nitro-4-pentoxypyridin-2-amine (CID 67636767) is 3-nitro-4-pentoxypyridin-2-amine.
What is the SMILES notation for 3-nitro-4-pentoxypyridin-2-amine?
The canonical SMILES for 3-nitro-4-pentoxypyridin-2-amine is CCCCCOc1ccnc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-pentoxypyridin-2-amine?
The InChIKey is CUDADDSNVTXBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-7-16-8-5-6-12-10(11)9(8)13(14)15/h5-6H,2-4,7H2,1H3,(H2,11,12).
What are the key properties of 3-nitro-4-pentoxypyridin-2-amine?
3-nitro-4-pentoxypyridin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-pentoxypyridin-2-amine is sourced from PubChem (CID 67636767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).