6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine

C13H11ClFN3O2 — CID 103888286

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
SMILESCN(Cc1ccccc1F)c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C13H11ClFN3O2/c1-17(8-9-4-2-3-5-11(9)15)13-7-10(18(19)20)6-12(14)16-13/h2-7H,8H2,1H3
InChIKeyKXPOZAJPYOLDGV-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.42
Rot. Bonds4

About 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine

6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine (PubChem CID 103888286) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
PubChem CID103888286
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
SMILESCN(Cc1ccccc1F)c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C13H11ClFN3O2/c1-17(8-9-4-2-3-5-11(9)15)13-7-10(18(19)20)6-12(14)16-13/h2-7H,8H2,1H3
InChIKeyKXPOZAJPYOLDGV-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-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101190
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
CID 102809432
N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095479
2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 171704417
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717744
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 80899402
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine (CID 103888286) is 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine is CN(Cc1ccccc1F)c1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine?
The InChIKey is KXPOZAJPYOLDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-17(8-9-4-2-3-5-11(9)15)13-7-10(18(19)20)6-12(14)16-13/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine?
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-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-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 103888286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).