N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine

C14H13FN2 — CID 107854173

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine
SMILESFc1cc(NC2Cc3ccccc3C2)ccn1
InChIInChI=1S/C14H13FN2/c15-14-9-12(5-6-16-14)17-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,16,17)
InChIKeyZHFLMTZWNNHUHQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.80
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine (PubChem CID 107854173) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine
PubChem CID107854173
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine
SMILESFc1cc(NC2Cc3ccccc3C2)ccn1
InChIInChI=1S/C14H13FN2/c15-14-9-12(5-6-16-14)17-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,16,17)
InChIKeyZHFLMTZWNNHUHQ-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine (CID 107854173) is N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine is Fc1cc(NC2Cc3ccccc3C2)ccn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine?
The InChIKey is ZHFLMTZWNNHUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-14-9-12(5-6-16-14)17-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine has a molecular weight of 228.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridin-4-amine is sourced from PubChem (CID 107854173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).