5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine

C6H5BrClF3N2 — CID 151534677

IUPAC5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine
SMILESNC1(Cl)NC=C(Br)C=C1C(F)(F)F
InChIInChI=1S/C6H5BrClF3N2/c7-3-1-4(6(9,10)11)5(8,12)13-2-3/h1-2,13H,12H2
InChIKeyPXFJLHFUCUQIOL-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.17
Rot. Bonds

About 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine

5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine (PubChem CID 151534677) has the molecular formula C6H5BrClF3N2 and a molecular weight of 277.47 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine
PubChem CID151534677
Molecular FormulaC6H5BrClF3N2
Molecular Weight277.47 g/mol
Exact Mass275.93
IUPAC Name5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine
SMILESNC1(Cl)NC=C(Br)C=C1C(F)(F)F
InChIInChI=1S/C6H5BrClF3N2/c7-3-1-4(6(9,10)11)5(8,12)13-2-3/h1-2,13H,12H2
InChIKeyPXFJLHFUCUQIOL-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine?
The IUPAC name of 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine (CID 151534677) is 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine.
What is the SMILES notation for 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine?
The canonical SMILES for 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine is NC1(Cl)NC=C(Br)C=C1C(F)(F)F.
What is the InChIKey of 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine?
The InChIKey is PXFJLHFUCUQIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClF3N2/c7-3-1-4(6(9,10)11)5(8,12)13-2-3/h1-2,13H,12H2.
What are the key properties of 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine?
5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine has a molecular weight of 277.47 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(trifluoromethyl)-1H-pyridin-2-amine is sourced from PubChem (CID 151534677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).