3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

C13H12BrFN2 — CID 61373552

IUPAC3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncccc1Br
InChIInChI=1S/C13H12BrFN2/c1-17(13-12(14)3-2-8-16-13)9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyNBUCSOIMYHWNLN-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine

3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 61373552) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
PubChem CID61373552
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncccc1Br
InChIInChI=1S/C13H12BrFN2/c1-17(13-12(14)3-2-8-16-13)9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyNBUCSOIMYHWNLN-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine (CID 61373552) is 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine is CN(Cc1ccc(F)cc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is NBUCSOIMYHWNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-17(13-12(14)3-2-8-16-13)9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine?
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 295.16 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 61373552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).