5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C14H13FN2 — CID 170600909

IUPAC5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccc(F)nc2)ccc2c1CCC2
InChIInChI=1S/C14H13FN2/c15-13-7-5-10(8-17-13)12-6-4-9-2-1-3-11(9)14(12)16/h4-8H,1-3,16H2
InChIKeyHTOYUQSXLKATJM-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.96
Rot. Bonds1

About 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine

5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 170600909) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID170600909
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccc(F)nc2)ccc2c1CCC2
InChIInChI=1S/C14H13FN2/c15-13-7-5-10(8-17-13)12-6-4-9-2-1-3-11(9)14(12)16/h4-8H,1-3,16H2
InChIKeyHTOYUQSXLKATJM-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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Related Compounds

5-Aminoisoquinoline
CID 70766
3-(2-Pyridin-4-ylethyl)aniline
CID 5200230
3-(Pyridin-3-yl)aniline
CID 459521
(3-Pyridylmethylene)indane 1a
CID 6539759
3-[(1Z)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine
CID 6539760
(3-Pyridylmethylene)indane 5a
CID 6539763
3-{[(1Z)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539764
3-{[(1E)-4-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539775
(3-Pyridylmethylene)indane 24a
CID 6539783
4-[(1Z)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine
CID 6539786
(4-Pyridylmethylene)indane 6a
CID 6539788
4-{[(1Z)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539789

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 170600909) is 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine is Nc1c(-c2ccc(F)nc2)ccc2c1CCC2.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is HTOYUQSXLKATJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-13-7-5-10(8-17-13)12-6-4-9-2-1-3-11(9)14(12)16/h4-8H,1-3,16H2.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
5-(6-fluoro-3-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-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 170600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).