[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine

C15H11ClF2N2 — CID 22763455

IUPAC[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine
SMILESNCc1[nH]c2ccc(Cl)cc2c1-c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2N2/c16-8-4-5-12-9(6-8)14(13(7-19)20-12)15-10(17)2-1-3-11(15)18/h1-6,20H,7,19H2
InChIKeyHXGISJPVODUWRH-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.23
Rot. Bonds2

About [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine

[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine (PubChem CID 22763455) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine
PubChem CID22763455
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine
SMILESNCc1[nH]c2ccc(Cl)cc2c1-c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2N2/c16-8-4-5-12-9(6-8)14(13(7-19)20-12)15-10(17)2-1-3-11(15)18/h1-6,20H,7,19H2
InChIKeyHXGISJPVODUWRH-UHFFFAOYSA-N
XLogP4.23
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine?
The IUPAC name of [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine (CID 22763455) is [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine.
What is the SMILES notation for [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine?
The canonical SMILES for [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine is NCc1[nH]c2ccc(Cl)cc2c1-c1c(F)cccc1F.
What is the InChIKey of [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine?
The InChIKey is HXGISJPVODUWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c16-8-4-5-12-9(6-8)14(13(7-19)20-12)15-10(17)2-1-3-11(15)18/h1-6,20H,7,19H2.
What are the key properties of [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine?
[5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine has a molecular weight of 292.72 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(2,6-difluorophenyl)-1H-indol-2-yl]methanamine is sourced from PubChem (CID 22763455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).