(6-bromo-3-fluoro-2-pyridinyl)methanamine

C6H6BrFN2 — CID 112694257

IUPAC(6-bromo-3-fluoro-2-pyridinyl)methanamine
SMILESNCc1nc(Br)ccc1F
InChIInChI=1S/C6H6BrFN2/c7-6-2-1-4(8)5(3-9)10-6/h1-2H,3,9H2
InChIKeyXFQSTSXYJYVPEX-UHFFFAOYSA-N
MW205.03 g/mol
LogP1.44
Rot. Bonds1

About (6-bromo-3-fluoro-2-pyridinyl)methanamine

(6-bromo-3-fluoro-2-pyridinyl)methanamine (PubChem CID 112694257) has the molecular formula C6H6BrFN2 and a molecular weight of 205.03 g/mol. Its IUPAC name is (6-bromo-3-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-fluoro-2-pyridinyl)methanamine
PubChem CID112694257
Molecular FormulaC6H6BrFN2
Molecular Weight205.03 g/mol
Exact Mass203.97
IUPAC Name(6-bromo-3-fluoro-2-pyridinyl)methanamine
SMILESNCc1nc(Br)ccc1F
InChIInChI=1S/C6H6BrFN2/c7-6-2-1-4(8)5(3-9)10-6/h1-2H,3,9H2
InChIKeyXFQSTSXYJYVPEX-UHFFFAOYSA-N
XLogP1.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 51.44
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 (6-bromo-3-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (6-bromo-3-fluoro-2-pyridinyl)methanamine (CID 112694257) is (6-bromo-3-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (6-bromo-3-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (6-bromo-3-fluoro-2-pyridinyl)methanamine is NCc1nc(Br)ccc1F.
What is the InChIKey of (6-bromo-3-fluoro-2-pyridinyl)methanamine?
The InChIKey is XFQSTSXYJYVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2/c7-6-2-1-4(8)5(3-9)10-6/h1-2H,3,9H2.
What are the key properties of (6-bromo-3-fluoro-2-pyridinyl)methanamine?
(6-bromo-3-fluoro-2-pyridinyl)methanamine has a molecular weight of 205.03 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 112694257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).