4-nitro-5-pentylpyridin-3-amine

C10H15N3O2 — CID 67637376

IUPAC4-nitro-5-pentylpyridin-3-amine
SMILESCCCCCc1cncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-2-3-4-5-8-6-12-7-9(11)10(8)13(14)15/h6-7H,2-5,11H2,1H3
InChIKeyMWEQALDVFUKGBM-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.30
Rot. Bonds5

About 4-nitro-5-pentylpyridin-3-amine

4-nitro-5-pentylpyridin-3-amine (PubChem CID 67637376) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-nitro-5-pentylpyridin-3-amine.

Molecular Properties

Compound Name4-nitro-5-pentylpyridin-3-amine
PubChem CID67637376
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-nitro-5-pentylpyridin-3-amine
SMILESCCCCCc1cncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-2-3-4-5-8-6-12-7-9(11)10(8)13(14)15/h6-7H,2-5,11H2,1H3
InChIKeyMWEQALDVFUKGBM-UHFFFAOYSA-N
XLogP2.30
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-nitro-4-pentylpyridin-2-amine
CID 67635869
5-amino-4-nitro-N-pentylpyridine-3-carboxamide
CID 67636473
1-ethyl-2-nitro-3-pentylbenzene
CID 139904713
5-amino-4-nitropyridine-3-carbonitrile
CID 19034852
3-nitro-4-pentylquinolin-2-amine
CID 67636144
4-amino-2-nitro-3-pentylbenzenesulfonic acid
CID 87789893
3-nitro-4,5-dioctylbenzene-1,2-diol
CID 154435594
2,3-dibutyl-5-nitroaniline
CID 67257238
3,4,5-tributylpyridine
CID 173010708
2-nitro-1,3-dipentyl-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 25100235
(2-nitro-3-pentadecylphenyl) pentadecanoate
CID 102468328
4-nitro-5-(trifluoromethoxy)pyridin-3-amine
CID 19034620

Frequently Asked Questions

What is the IUPAC name of 4-nitro-5-pentylpyridin-3-amine?
The IUPAC name of 4-nitro-5-pentylpyridin-3-amine (CID 67637376) is 4-nitro-5-pentylpyridin-3-amine.
What is the SMILES notation for 4-nitro-5-pentylpyridin-3-amine?
The canonical SMILES for 4-nitro-5-pentylpyridin-3-amine is CCCCCc1cncc(N)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-5-pentylpyridin-3-amine?
The InChIKey is MWEQALDVFUKGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-3-4-5-8-6-12-7-9(11)10(8)13(14)15/h6-7H,2-5,11H2,1H3.
What are the key properties of 4-nitro-5-pentylpyridin-3-amine?
4-nitro-5-pentylpyridin-3-amine has a molecular weight of 209.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-pentylpyridin-3-amine is sourced from PubChem (CID 67637376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).