N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine

C17H12FN3O2 — CID 22724446

IUPACN-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C17H12FN3O2/c18-15-8-2-1-7-14(15)12-5-3-6-13(11-12)20-17-16(21(22)23)9-4-10-19-17/h1-11H,(H,19,20)
InChIKeyLNLJGCDUXKRUGL-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.54
Rot. Bonds4

About N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine

N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine (PubChem CID 22724446) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine
PubChem CID22724446
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC NameN-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C17H12FN3O2/c18-15-8-2-1-7-14(15)12-5-3-6-13(11-12)20-17-16(21(22)23)9-4-10-19-17/h1-11H,(H,19,20)
InChIKeyLNLJGCDUXKRUGL-UHFFFAOYSA-N
XLogP4.54
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.54
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-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine (CID 22724446) is N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1Nc1cccc(-c2ccccc2F)c1.
What is the InChIKey of N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine?
The InChIKey is LNLJGCDUXKRUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-15-8-2-1-7-14(15)12-5-3-6-13(11-12)20-17-16(21(22)23)9-4-10-19-17/h1-11H,(H,19,20).
What are the key properties of N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine?
N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine has a molecular weight of 309.30 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)phenyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 22724446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).