2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine

C15H15N3O2 — CID 59825455

IUPAC2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
SMILESO=[N+]([O-])c1cccc(-c2cccc(N3CCCC3)n2)c1
InChIInChI=1S/C15H15N3O2/c19-18(20)13-6-3-5-12(11-13)14-7-4-8-15(16-14)17-9-1-2-10-17/h3-8,11H,1-2,9-10H2
InChIKeyUTPJLMBWELQYSK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.26
Rot. Bonds3

About 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine

2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine (PubChem CID 59825455) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
PubChem CID59825455
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
SMILESO=[N+]([O-])c1cccc(-c2cccc(N3CCCC3)n2)c1
InChIInChI=1S/C15H15N3O2/c19-18(20)13-6-3-5-12(11-13)14-7-4-8-15(16-14)17-9-1-2-10-17/h3-8,11H,1-2,9-10H2
InChIKeyUTPJLMBWELQYSK-UHFFFAOYSA-N
XLogP3.26
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
3-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridazine
CID 52903888
4-(3-nitrophenyl)-2-piperidin-1-ylpyrimidine
CID 66493923
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
CID 66493906
1-(3-nitrophenyl)pyrrolidine
CID 698267
3-(4-cyclopropylpiperazin-1-yl)-6-(3-nitrophenyl)pyridazine
CID 58006601
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
1-(3-nitrophenyl)azetidine
CID 58663764
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
2-cyclohexyl-5-[4-[6-(3-nitrophenyl)pyridazin-3-yl]piperazin-1-yl]-1,3,4-thiadiazole
CID 108772783

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine (CID 59825455) is 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine is O=[N+]([O-])c1cccc(-c2cccc(N3CCCC3)n2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine?
The InChIKey is UTPJLMBWELQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-18(20)13-6-3-5-12(11-13)14-7-4-8-15(16-14)17-9-1-2-10-17/h3-8,11H,1-2,9-10H2.
What are the key properties of 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine?
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine has a molecular weight of 269.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 59825455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).