5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C14H13FN2 — CID 146380438

IUPAC5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(F)c2)ccc2c1CCC2
InChIInChI=1S/C14H13FN2/c15-13-8-10(6-7-17-13)12-5-4-9-2-1-3-11(9)14(12)16/h4-8H,1-3,16H2
InChIKeyLKZVOXLXYWVKTA-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.96
Rot. Bonds1

About 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 146380438) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID146380438
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(F)c2)ccc2c1CCC2
InChIInChI=1S/C14H13FN2/c15-13-8-10(6-7-17-13)12-5-4-9-2-1-3-11(9)14(12)16/h4-8H,1-3,16H2
InChIKeyLKZVOXLXYWVKTA-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 146380438) is 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is Nc1c(-c2ccnc(F)c2)ccc2c1CCC2.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is LKZVOXLXYWVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-13-8-10(6-7-17-13)12-5-4-9-2-1-3-11(9)14(12)16/h4-8H,1-3,16H2.
What are the key properties of 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 228.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146380438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).