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

C12H10FN3O2 — CID 15614714

IUPACN-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccncc1NCc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2/c13-10-3-1-9(2-4-10)7-15-11-8-14-6-5-12(11)16(17)18/h1-6,8,15H,7H2
InChIKeyLLRJMQQFKMGUBC-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.74
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine (PubChem CID 15614714) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine
PubChem CID15614714
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccncc1NCc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2/c13-10-3-1-9(2-4-10)7-15-11-8-14-6-5-12(11)16(17)18/h1-6,8,15H,7H2
InChIKeyLLRJMQQFKMGUBC-UHFFFAOYSA-N
XLogP2.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine (CID 15614714) is N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine is O=[N+]([O-])c1ccncc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine?
The InChIKey is LLRJMQQFKMGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-10-3-1-9(2-4-10)7-15-11-8-14-6-5-12(11)16(17)18/h1-6,8,15H,7H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine?
N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine has a molecular weight of 247.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-nitropyridin-3-amine is sourced from PubChem (CID 15614714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).