3-bromo-4-fluoro-5-pyridin-3-ylaniline

C11H8BrFN2 — CID 165490255

IUPAC3-bromo-4-fluoro-5-pyridin-3-ylaniline
SMILESNc1cc(Br)c(F)c(-c2cccnc2)c1
InChIInChI=1S/C11H8BrFN2/c12-10-5-8(14)4-9(11(10)13)7-2-1-3-15-6-7/h1-6H,14H2
InChIKeyAJHSDZZDWUUDLQ-UHFFFAOYSA-N
MW267.10 g/mol
LogP3.23
Rot. Bonds1

About 3-bromo-4-fluoro-5-pyridin-3-ylaniline

3-bromo-4-fluoro-5-pyridin-3-ylaniline (PubChem CID 165490255) has the molecular formula C11H8BrFN2 and a molecular weight of 267.10 g/mol. Its IUPAC name is 3-bromo-4-fluoro-5-pyridin-3-ylaniline.

Molecular Properties

Compound Name3-bromo-4-fluoro-5-pyridin-3-ylaniline
PubChem CID165490255
Molecular FormulaC11H8BrFN2
Molecular Weight267.10 g/mol
Exact Mass265.99
IUPAC Name3-bromo-4-fluoro-5-pyridin-3-ylaniline
SMILESNc1cc(Br)c(F)c(-c2cccnc2)c1
InChIInChI=1S/C11H8BrFN2/c12-10-5-8(14)4-9(11(10)13)7-2-1-3-15-6-7/h1-6H,14H2
InChIKeyAJHSDZZDWUUDLQ-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-5-pyridin-3-ylaniline?
The IUPAC name of 3-bromo-4-fluoro-5-pyridin-3-ylaniline (CID 165490255) is 3-bromo-4-fluoro-5-pyridin-3-ylaniline.
What is the SMILES notation for 3-bromo-4-fluoro-5-pyridin-3-ylaniline?
The canonical SMILES for 3-bromo-4-fluoro-5-pyridin-3-ylaniline is Nc1cc(Br)c(F)c(-c2cccnc2)c1.
What is the InChIKey of 3-bromo-4-fluoro-5-pyridin-3-ylaniline?
The InChIKey is AJHSDZZDWUUDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2/c12-10-5-8(14)4-9(11(10)13)7-2-1-3-15-6-7/h1-6H,14H2.
What are the key properties of 3-bromo-4-fluoro-5-pyridin-3-ylaniline?
3-bromo-4-fluoro-5-pyridin-3-ylaniline has a molecular weight of 267.10 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-5-pyridin-3-ylaniline is sourced from PubChem (CID 165490255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).