N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine

C11H5BrClF3N2 — CID 114072741

IUPACN-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(F)c(Nc2ccc(Br)c(Cl)c2)nc1F
InChIInChI=1S/C11H5BrClF3N2/c12-6-2-1-5(3-7(6)13)17-11-9(15)4-8(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyUPAODVVYIBAZTD-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.66
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine

N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine (PubChem CID 114072741) has the molecular formula C11H5BrClF3N2 and a molecular weight of 337.53 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine
PubChem CID114072741
Molecular FormulaC11H5BrClF3N2
Molecular Weight337.53 g/mol
Exact Mass335.93
IUPAC NameN-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(F)c(Nc2ccc(Br)c(Cl)c2)nc1F
InChIInChI=1S/C11H5BrClF3N2/c12-6-2-1-5(3-7(6)13)17-11-9(15)4-8(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyUPAODVVYIBAZTD-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine (CID 114072741) is N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine is Fc1cc(F)c(Nc2ccc(Br)c(Cl)c2)nc1F.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine?
The InChIKey is UPAODVVYIBAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N2/c12-6-2-1-5(3-7(6)13)17-11-9(15)4-8(14)10(16)18-11/h1-4H,(H,17,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine?
N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine has a molecular weight of 337.53 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 114072741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).