(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine

C15H10BrClFN3 — CID 107357509

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
SMILESNC(c1cnc2ccccc2n1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H10BrClFN3/c16-9-6-5-8(14(18)13(9)17)15(19)12-7-20-10-3-1-2-4-11(10)21-12/h1-7,15H,19H2
InChIKeyIAWYJXBKPJMODS-UHFFFAOYSA-N
MW366.62 g/mol
LogP4.23
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine

(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine (PubChem CID 107357509) has the molecular formula C15H10BrClFN3 and a molecular weight of 366.62 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
PubChem CID107357509
Molecular FormulaC15H10BrClFN3
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
SMILESNC(c1cnc2ccccc2n1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H10BrClFN3/c16-9-6-5-8(14(18)13(9)17)15(19)12-7-20-10-3-1-2-4-11(10)21-12/h1-7,15H,19H2
InChIKeyIAWYJXBKPJMODS-UHFFFAOYSA-N
XLogP4.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357093
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357097
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 106762598
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
CID 106765183
(3,4-dichlorophenyl)-quinoxalin-2-ylmethanamine
CID 107356865
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
CID 106645567
[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine
CID 106765388

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine (CID 107357509) is (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine is NC(c1cnc2ccccc2n1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine?
The InChIKey is IAWYJXBKPJMODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3/c16-9-6-5-8(14(18)13(9)17)15(19)12-7-20-10-3-1-2-4-11(10)21-12/h1-7,15H,19H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine?
(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine has a molecular weight of 366.62 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107357509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).