(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline

C9H10BrFN2 — CID 135369805

IUPAC(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESC[C@H]1CNc2c(ccc(F)c2Br)N1
InChIInChI=1S/C9H10BrFN2/c1-5-4-12-9-7(13-5)3-2-6(11)8(9)10/h2-3,5,12-13H,4H2,1H3/t5-/m0/s1
InChIKeyNSVAQNAZZQEELH-YFKPBYRVSA-N
MW245.09 g/mol
LogP2.81
Rot. Bonds

About (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline

(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 135369805) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID135369805
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESC[C@H]1CNc2c(ccc(F)c2Br)N1
InChIInChI=1S/C9H10BrFN2/c1-5-4-12-9-7(13-5)3-2-6(11)8(9)10/h2-3,5,12-13H,4H2,1H3/t5-/m0/s1
InChIKeyNSVAQNAZZQEELH-YFKPBYRVSA-N
XLogP2.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12896817
3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine
CID 115096329
7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217685
(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol
CID 115096326
6-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 115098315
8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654802
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
(3S)-8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654800
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
2-(3-bromo-4-fluoro-2-methylphenyl)piperidine
CID 84809680
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225

Frequently Asked Questions

What is the IUPAC name of (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline (CID 135369805) is (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline is C[C@H]1CNc2c(ccc(F)c2Br)N1.
What is the InChIKey of (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is NSVAQNAZZQEELH-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10BrFN2/c1-5-4-12-9-7(13-5)3-2-6(11)8(9)10/h2-3,5,12-13H,4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline?
(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 245.09 g/mol, XLogP of 2.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 135369805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).