1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine

C12H9BrCl2FN3 — CID 103553339

IUPAC1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(Nc2cc(Cl)ccc2Br)c(F)c1Cl
InChIInChI=1S/C12H9BrCl2FN3/c13-6-2-1-5(14)3-9(6)19-12-8(18)4-7(17)10(15)11(12)16/h1-4,19H,17-18H2
InChIKeyCIOJBNXFPXRSMJ-UHFFFAOYSA-N
MW365.03 g/mol
LogP4.80
Rot. Bonds2

About 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine

1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine (PubChem CID 103553339) has the molecular formula C12H9BrCl2FN3 and a molecular weight of 365.03 g/mol. Its IUPAC name is 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
PubChem CID103553339
Molecular FormulaC12H9BrCl2FN3
Molecular Weight365.03 g/mol
Exact Mass362.93
IUPAC Name1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(Nc2cc(Cl)ccc2Br)c(F)c1Cl
InChIInChI=1S/C12H9BrCl2FN3/c13-6-2-1-5(14)3-9(6)19-12-8(18)4-7(17)10(15)11(12)16/h1-4,19H,17-18H2
InChIKeyCIOJBNXFPXRSMJ-UHFFFAOYSA-N
XLogP4.80
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.03
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-N-(2-chloro-4-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552626
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552595
1-N-(4-bromo-2-ethylphenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553340
5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552819
5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552610
2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine
CID 114258550
(2-bromo-5-chlorophenyl)hydrazine
CID 58110901
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 81271742
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81263721
1-N-(2-bromo-5-chlorophenyl)-3-methylbenzene-1,2-diamine
CID 114041326
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
N-(2-bromo-5-chlorophenyl)-3,5-difluoro-6-hydrazinylpyridin-2-amine
CID 114073489

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine (CID 103553339) is 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine is Nc1cc(N)c(Nc2cc(Cl)ccc2Br)c(F)c1Cl.
What is the InChIKey of 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine?
The InChIKey is CIOJBNXFPXRSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FN3/c13-6-2-1-5(14)3-9(6)19-12-8(18)4-7(17)10(15)11(12)16/h1-4,19H,17-18H2.
What are the key properties of 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine?
1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine has a molecular weight of 365.03 g/mol, XLogP of 4.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103553339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).