3-nitro-5-(3-pyridin-3-ylpropyl)aniline

C14H15N3O2 — CID 173252206

IUPAC3-nitro-5-(3-pyridin-3-ylpropyl)aniline
SMILESNc1cc(CCCc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O2/c15-13-7-12(8-14(9-13)17(18)19)4-1-3-11-5-2-6-16-10-11/h2,5-10H,1,3-4,15H2
InChIKeyIFJROSGWNSPGMJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.75
Rot. Bonds5

About 3-nitro-5-(3-pyridin-3-ylpropyl)aniline

3-nitro-5-(3-pyridin-3-ylpropyl)aniline (PubChem CID 173252206) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-nitro-5-(3-pyridin-3-ylpropyl)aniline.

Molecular Properties

Compound Name3-nitro-5-(3-pyridin-3-ylpropyl)aniline
PubChem CID173252206
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-nitro-5-(3-pyridin-3-ylpropyl)aniline
SMILESNc1cc(CCCc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O2/c15-13-7-12(8-14(9-13)17(18)19)4-1-3-11-5-2-6-16-10-11/h2,5-10H,1,3-4,15H2
InChIKeyIFJROSGWNSPGMJ-UHFFFAOYSA-N
XLogP2.75
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2,6-dichloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 104917126
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 114071056
4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
CID 174146036
2-chloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 31408601
5-decylbenzene-1,3-diamine;1-decyl-3,5-dinitrobenzene;methane
CID 161462362
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
ethane-1,2-diamine;3-nitropyridine
CID 142993055
N-[(2,4-dinitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66222624
1-(6-nitro-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110427346
3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80905726
3,5-dinitro-2-(pyridin-3-ylmethylamino)benzoic acid
CID 2838912

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-(3-pyridin-3-ylpropyl)aniline?
The IUPAC name of 3-nitro-5-(3-pyridin-3-ylpropyl)aniline (CID 173252206) is 3-nitro-5-(3-pyridin-3-ylpropyl)aniline.
What is the SMILES notation for 3-nitro-5-(3-pyridin-3-ylpropyl)aniline?
The canonical SMILES for 3-nitro-5-(3-pyridin-3-ylpropyl)aniline is Nc1cc(CCCc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-5-(3-pyridin-3-ylpropyl)aniline?
The InChIKey is IFJROSGWNSPGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13-7-12(8-14(9-13)17(18)19)4-1-3-11-5-2-6-16-10-11/h2,5-10H,1,3-4,15H2.
What are the key properties of 3-nitro-5-(3-pyridin-3-ylpropyl)aniline?
3-nitro-5-(3-pyridin-3-ylpropyl)aniline has a molecular weight of 257.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-(3-pyridin-3-ylpropyl)aniline is sourced from PubChem (CID 173252206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).