N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine

C12H10FN3O2 — CID 150801431

IUPACN-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine
SMILESCc1nccc(Nc2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c1-8-12(16(17)18)11(6-7-14-8)15-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15)
InChIKeyKFYGWGFYTUZIHH-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.18
Rot. Bonds3

About N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine

N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine (PubChem CID 150801431) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine
PubChem CID150801431
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine
SMILESCc1nccc(Nc2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c1-8-12(16(17)18)11(6-7-14-8)15-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15)
InChIKeyKFYGWGFYTUZIHH-UHFFFAOYSA-N
XLogP3.18
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.18
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)-2-methyl-3-nitropyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine (CID 150801431) is N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine is Cc1nccc(Nc2ccc(F)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine?
The InChIKey is KFYGWGFYTUZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-8-12(16(17)18)11(6-7-14-8)15-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine?
N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine has a molecular weight of 247.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine is sourced from PubChem (CID 150801431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).