4-[1-(4-nitro-3-pyridinyl)propylamino]phenol

C14H15N3O3 — CID 22164905

IUPAC4-[1-(4-nitro-3-pyridinyl)propylamino]phenol
SMILESCCC(Nc1ccc(O)cc1)c1cnccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-2-13(16-10-3-5-11(18)6-4-10)12-9-15-8-7-14(12)17(19)20/h3-9,13,16,18H,2H2,1H3
InChIKeyOIMNNAQJBAXFBI-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.26
Rot. Bonds5

About 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol

4-[1-(4-nitro-3-pyridinyl)propylamino]phenol (PubChem CID 22164905) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol.

Molecular Properties

Compound Name4-[1-(4-nitro-3-pyridinyl)propylamino]phenol
PubChem CID22164905
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[1-(4-nitro-3-pyridinyl)propylamino]phenol
SMILESCCC(Nc1ccc(O)cc1)c1cnccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-2-13(16-10-3-5-11(18)6-4-10)12-9-15-8-7-14(12)17(19)20/h3-9,13,16,18H,2H2,1H3
InChIKeyOIMNNAQJBAXFBI-UHFFFAOYSA-N
XLogP3.26
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

4-[1-(4-amino-3-pyridinyl)propylamino]phenol
CID 22164908
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
3-(3-nitro-4-pyridinyl)pentan-2-one
CID 63196616
N-(3-ethylpentan-2-yl)-3-nitropyridin-4-amine
CID 63838871
4-(1-phenylpropylamino)phenol
CID 43742837
4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
CID 115994326
2-(8-nitroisoquinolin-5-yl)pentan-3-ol
CID 55222309
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-[1-(4-chloro-2-nitroanilino)propyl]phenol
CID 43686336
[(4-nitro-3-pyridinyl)-phenylmethyl] hydrogen carbonate
CID 66989122
N-(1-naphthalen-1-ylpropyl)-4-nitroaniline
CID 71561876
2-(3-nitro-4-pyridinyl)pentan-3-amine
CID 63548618

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol?
The IUPAC name of 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol (CID 22164905) is 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol.
What is the SMILES notation for 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol?
The canonical SMILES for 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol is CCC(Nc1ccc(O)cc1)c1cnccc1[N+](=O)[O-].
What is the InChIKey of 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol?
The InChIKey is OIMNNAQJBAXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-13(16-10-3-5-11(18)6-4-10)12-9-15-8-7-14(12)17(19)20/h3-9,13,16,18H,2H2,1H3.
What are the key properties of 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol?
4-[1-(4-nitro-3-pyridinyl)propylamino]phenol has a molecular weight of 273.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitro-3-pyridinyl)propylamino]phenol is sourced from PubChem (CID 22164905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).