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

C14H12ClFN2 — CID 116812769

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine
SMILESFc1cccc(NC2Cc3ccc(Cl)cc3C2)n1
InChIInChI=1S/C14H12ClFN2/c15-11-5-4-9-7-12(8-10(9)6-11)17-14-3-1-2-13(16)18-14/h1-6,12H,7-8H2,(H,17,18)
InChIKeyJQLNGOLUOWBRLH-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.45
Rot. Bonds2

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

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine (PubChem CID 116812769) has the molecular formula C14H12ClFN2 and a molecular weight of 262.72 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine
PubChem CID116812769
Molecular FormulaC14H12ClFN2
Molecular Weight262.72 g/mol
Exact Mass262.07
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine
SMILESFc1cccc(NC2Cc3ccc(Cl)cc3C2)n1
InChIInChI=1S/C14H12ClFN2/c15-11-5-4-9-7-12(8-10(9)6-11)17-14-3-1-2-13(16)18-14/h1-6,12H,7-8H2,(H,17,18)
InChIKeyJQLNGOLUOWBRLH-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
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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Related Compounds

5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 115348592
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-2-amine
CID 115348786
5-chloro-N-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349107
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine
CID 115619378
5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81301040
6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
CID 113228053

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine (CID 116812769) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine is Fc1cccc(NC2Cc3ccc(Cl)cc3C2)n1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine?
The InChIKey is JQLNGOLUOWBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2/c15-11-5-4-9-7-12(8-10(9)6-11)17-14-3-1-2-13(16)18-14/h1-6,12H,7-8H2,(H,17,18).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine has a molecular weight of 262.72 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-(5-chloro-2,3-dihydro-1H-inden-2-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).