2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile

C9H5BrFN3 — CID 156877023

IUPAC2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile
SMILESN#Cc1c(N)[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C9H5BrFN3/c10-6-1-4-5(3-12)9(13)14-8(4)2-7(6)11/h1-2,14H,13H2
InChIKeyFXHBWVYZQZRIHD-UHFFFAOYSA-N
MW254.06 g/mol
LogP2.52
Rot. Bonds

About 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile

2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile (PubChem CID 156877023) has the molecular formula C9H5BrFN3 and a molecular weight of 254.06 g/mol. Its IUPAC name is 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile
PubChem CID156877023
Molecular FormulaC9H5BrFN3
Molecular Weight254.06 g/mol
Exact Mass252.97
IUPAC Name2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile
SMILESN#Cc1c(N)[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C9H5BrFN3/c10-6-1-4-5(3-12)9(13)14-8(4)2-7(6)11/h1-2,14H,13H2
InChIKeyFXHBWVYZQZRIHD-UHFFFAOYSA-N
XLogP2.52
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile?
The IUPAC name of 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile (CID 156877023) is 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile?
The canonical SMILES for 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile is N#Cc1c(N)[nH]c2cc(F)c(Br)cc12.
What is the InChIKey of 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile?
The InChIKey is FXHBWVYZQZRIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN3/c10-6-1-4-5(3-12)9(13)14-8(4)2-7(6)11/h1-2,14H,13H2.
What are the key properties of 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile?
2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile has a molecular weight of 254.06 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile is sourced from PubChem (CID 156877023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).