5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine

C11H8BrF2N3 — CID 58259096

IUPAC5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
SMILESFc1cncc(CNc2ccc(Br)c(F)n2)c1
InChIInChI=1S/C11H8BrF2N3/c12-9-1-2-10(17-11(9)14)16-5-7-3-8(13)6-15-4-7/h1-4,6H,5H2,(H,16,17)
InChIKeyNOIGVXQVZYSVQK-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine

5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 58259096) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID58259096
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
SMILESFc1cncc(CNc2ccc(Br)c(F)n2)c1
InChIInChI=1S/C11H8BrF2N3/c12-9-1-2-10(17-11(9)14)16-5-7-3-8(13)6-15-4-7/h1-4,6H,5H2,(H,16,17)
InChIKeyNOIGVXQVZYSVQK-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine (CID 58259096) is 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine is Fc1cncc(CNc2ccc(Br)c(F)n2)c1.
What is the InChIKey of 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is NOIGVXQVZYSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-9-1-2-10(17-11(9)14)16-5-7-3-8(13)6-15-4-7/h1-4,6H,5H2,(H,16,17).
What are the key properties of 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 300.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 58259096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).