N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine

C11H4BrCl5N2 — CID 114002020

IUPACN-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
SMILESClc1cc(Cl)c(Nc2ccc(Br)c(Cl)c2Cl)nc1Cl
InChIInChI=1S/C11H4BrCl5N2/c12-4-1-2-7(9(16)8(4)15)18-11-6(14)3-5(13)10(17)19-11/h1-3H,(H,18,19)
InChIKeyKUQMTCWNYANMMK-UHFFFAOYSA-N
MW421.34 g/mol
LogP6.85
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine

N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine (PubChem CID 114002020) has the molecular formula C11H4BrCl5N2 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
PubChem CID114002020
Molecular FormulaC11H4BrCl5N2
Molecular Weight421.34 g/mol
Exact Mass417.80
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
SMILESClc1cc(Cl)c(Nc2ccc(Br)c(Cl)c2Cl)nc1Cl
InChIInChI=1S/C11H4BrCl5N2/c12-4-1-2-7(9(16)8(4)15)18-11-6(14)3-5(13)10(17)19-11/h1-3H,(H,18,19)
InChIKeyKUQMTCWNYANMMK-UHFFFAOYSA-N
XLogP6.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107792312
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
4-N-(4-bromo-2,3-dichlorophenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 107794871
N-(4-bromo-2,3-dichlorophenyl)-6-chloropyridin-2-amine
CID 107792273
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 107792315
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107792299
3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102751000
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
CID 102750053
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine (CID 114002020) is N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine is Clc1cc(Cl)c(Nc2ccc(Br)c(Cl)c2Cl)nc1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine?
The InChIKey is KUQMTCWNYANMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl5N2/c12-4-1-2-7(9(16)8(4)15)18-11-6(14)3-5(13)10(17)19-11/h1-3H,(H,18,19).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine?
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine has a molecular weight of 421.34 g/mol, XLogP of 6.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine is sourced from PubChem (CID 114002020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).