N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine

C14H13FN2 — CID 61227803

IUPACN-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
SMILESFc1cccc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H13FN2/c15-13-5-2-6-14(17-13)16-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,16,17)
InChIKeyIEZLVFGPBDVPEX-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.45
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine

N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine (PubChem CID 61227803) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
PubChem CID61227803
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
SMILESFc1cccc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H13FN2/c15-13-5-2-6-14(17-13)16-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,16,17)
InChIKeyIEZLVFGPBDVPEX-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine (CID 61227803) is N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine is Fc1cccc(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine?
The InChIKey is IEZLVFGPBDVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-13-5-2-6-14(17-13)16-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine?
N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine has a molecular weight of 228.27 g/mol, XLogP of 3.45, 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-5-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 61227803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).