6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine

C13H11ClFN3O2 — CID 43330314

IUPAC6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
SMILESCN(Cc1cccc(F)c1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClFN3O2/c1-17(8-9-3-2-4-10(15)7-9)13-11(18(19)20)5-6-12(14)16-13/h2-7H,8H2,1H3
InChIKeyZJOKGPCDEJAENA-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.42
Rot. Bonds4

About 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine

6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine (PubChem CID 43330314) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
PubChem CID43330314
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
SMILESCN(Cc1cccc(F)c1)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClFN3O2/c1-17(8-9-3-2-4-10(15)7-9)13-11(18(19)20)5-6-12(14)16-13/h2-7H,8H2,1H3
InChIKeyZJOKGPCDEJAENA-UHFFFAOYSA-N
XLogP3.42
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627
2-N-methyl-2-N-[(3-methylphenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80794803
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271583
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methyl-4-nitroaniline
CID 28964494
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
7-[(3-fluorophenyl)methyl-methylamino]-6-nitro-3H-quinazolin-4-one
CID 135562769
N-benzyl-4-fluoro-N-methyl-2-nitroaniline
CID 146302250
N-tert-butyl-4-[(3-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide
CID 9113670
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine (CID 43330314) is 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine is CN(Cc1cccc(F)c1)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
The InChIKey is ZJOKGPCDEJAENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-17(8-9-3-2-4-10(15)7-9)13-11(18(19)20)5-6-12(14)16-13/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine has a molecular weight of 295.70 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 43330314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).