2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline

C13H11F2N3O2 — CID 62533658

IUPAC2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
SMILESO=[N+]([O-])c1ccc(F)c(F)c1NCCc1cccnc1
InChIInChI=1S/C13H11F2N3O2/c14-10-3-4-11(18(19)20)13(12(10)15)17-7-5-9-2-1-6-16-8-9/h1-4,6,8,17H,5,7H2
InChIKeyHSXZTAPSCYHICW-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.92
Rot. Bonds5

About 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline

2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 62533658) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
PubChem CID62533658
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
SMILESO=[N+]([O-])c1ccc(F)c(F)c1NCCc1cccnc1
InChIInChI=1S/C13H11F2N3O2/c14-10-3-4-11(18(19)20)13(12(10)15)17-7-5-9-2-1-6-16-8-9/h1-4,6,8,17H,5,7H2
InChIKeyHSXZTAPSCYHICW-UHFFFAOYSA-N
XLogP2.92
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
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

2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
2,6-dichloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 104917126
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
2,3-difluoro-6-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 62533475
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
CID 103471291
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004
2,3-difluoro-6-nitro-N-(2-phenylsulfanylethyl)aniline
CID 62532646
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756
N-[2-(2,3-difluoro-6-nitroanilino)ethyl]methanesulfonamide
CID 55086018

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline (CID 62533658) is 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline is O=[N+]([O-])c1ccc(F)c(F)c1NCCc1cccnc1.
What is the InChIKey of 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is HSXZTAPSCYHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-10-3-4-11(18(19)20)13(12(10)15)17-7-5-9-2-1-6-16-8-9/h1-4,6,8,17H,5,7H2.
What are the key properties of 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline?
2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 279.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 62533658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).