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

C12H11BrFN3 — CID 58259306

IUPAC5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1cncc(F)c1
InChIInChI=1S/C12H11BrFN3/c1-8-2-10(13)6-17-12(8)16-5-9-3-11(14)7-15-4-9/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyPNYXYPJVOGMZJQ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.30
Rot. Bonds3

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

5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine (PubChem CID 58259306) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine
PubChem CID58259306
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1cncc(F)c1
InChIInChI=1S/C12H11BrFN3/c1-8-2-10(13)6-17-12(8)16-5-9-3-11(14)7-15-4-9/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyPNYXYPJVOGMZJQ-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine (CID 58259306) is 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCc1cncc(F)c1.
What is the InChIKey of 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine?
The InChIKey is PNYXYPJVOGMZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-8-2-10(13)6-17-12(8)16-5-9-3-11(14)7-15-4-9/h2-4,6-7H,5H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine?
5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine has a molecular weight of 296.14 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 58259306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).