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

C14H12ClFN2 — CID 83066640

IUPAC2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
SMILESFc1cccc2c1CCC2Nc1cccnc1Cl
InChIInChI=1S/C14H12ClFN2/c15-14-13(5-2-8-17-14)18-12-7-6-9-10(12)3-1-4-11(9)16/h1-5,8,12,18H,6-7H2
InChIKeyVFMKOUHQFKFNRA-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.97
Rot. Bonds2

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

2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine (PubChem CID 83066640) has the molecular formula C14H12ClFN2 and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
PubChem CID83066640
Molecular FormulaC14H12ClFN2
Molecular Weight262.72 g/mol
Exact Mass262.07
IUPAC Name2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
SMILESFc1cccc2c1CCC2Nc1cccnc1Cl
InChIInChI=1S/C14H12ClFN2/c15-14-13(5-2-8-17-14)18-12-7-6-9-10(12)3-1-4-11(9)16/h1-5,8,12,18H,6-7H2
InChIKeyVFMKOUHQFKFNRA-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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-(2-bromophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067708
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107527044
N-(4-chlorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067484
4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065951
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
4-fluoro-N-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83067325
N-(5-bromo-4-fluoro-2-methylphenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107591170
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945
1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43716642
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107610126
4-bromo-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107797461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine (CID 83066640) is 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine is Fc1cccc2c1CCC2Nc1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
The InChIKey is VFMKOUHQFKFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2/c15-14-13(5-2-8-17-14)18-12-7-6-9-10(12)3-1-4-11(9)16/h1-5,8,12,18H,6-7H2.
What are the key properties of 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine has a molecular weight of 262.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine is sourced from PubChem (CID 83066640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).