2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine

C14H9F5N2 — CID 133371682

IUPAC2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
SMILESFc1ccc2c(c1)CCC2Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C14H9F5N2/c15-7-2-3-8-6(5-7)1-4-9(8)20-12-10(16)13(18)21-14(19)11(12)17/h2-3,5,9H,1,4H2,(H,20,21)
InChIKeyHOEGRSLQHVFMBL-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.88
Rot. Bonds2

About 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine (PubChem CID 133371682) has the molecular formula C14H9F5N2 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
PubChem CID133371682
Molecular FormulaC14H9F5N2
Molecular Weight300.23 g/mol
Exact Mass300.07
IUPAC Name2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
SMILESFc1ccc2c(c1)CCC2Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C14H9F5N2/c15-7-2-3-8-6(5-7)1-4-9(8)20-12-10(16)13(18)21-14(19)11(12)17/h2-3,5,9H,1,4H2,(H,20,21)
InChIKeyHOEGRSLQHVFMBL-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.88
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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Related Compounds

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371686
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133482389
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115917148

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine (CID 133371682) is 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine is Fc1ccc2c(c1)CCC2Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
The InChIKey is HOEGRSLQHVFMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2/c15-7-2-3-8-6(5-7)1-4-9(8)20-12-10(16)13(18)21-14(19)11(12)17/h2-3,5,9H,1,4H2,(H,20,21).
What are the key properties of 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine has a molecular weight of 300.23 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine is sourced from PubChem (CID 133371682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).