6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine

C12H9ClFN3O2 — CID 43152711

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCc1ccc(F)cc1
InChIInChI=1S/C12H9ClFN3O2/c13-11-6-5-10(17(18)19)12(16-11)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyWUURADJZJGGVCZ-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.39
Rot. Bonds4

About 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine

6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine (PubChem CID 43152711) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine
PubChem CID43152711
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCc1ccc(F)cc1
InChIInChI=1S/C12H9ClFN3O2/c13-11-6-5-10(17(18)19)12(16-11)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyWUURADJZJGGVCZ-UHFFFAOYSA-N
XLogP3.39
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.39
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine (CID 43152711) is 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1NCc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is WUURADJZJGGVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-11-6-5-10(17(18)19)12(16-11)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16).
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine?
6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 281.67 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 43152711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).