5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

C13H19BrFN3 — CID 104924188

IUPAC5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CN(C)c2ncc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-17-5-3-10(4-6-17)9-18(2)13-12(15)7-11(14)8-16-13/h7-8,10H,3-6,9H2,1-2H3
InChIKeyRAYLLJDMHZHJIG-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 104924188) has the molecular formula C13H19BrFN3 and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID104924188
Molecular FormulaC13H19BrFN3
Molecular Weight316.22 g/mol
Exact Mass315.07
IUPAC Name5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CN(C)c2ncc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-17-5-3-10(4-6-17)9-18(2)13-12(15)7-11(14)8-16-13/h7-8,10H,3-6,9H2,1-2H3
InChIKeyRAYLLJDMHZHJIG-UHFFFAOYSA-N
XLogP2.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (CID 104924188) is 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is CN1CCC(CN(C)c2ncc(Br)cc2F)CC1.
What is the InChIKey of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is RAYLLJDMHZHJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3/c1-17-5-3-10(4-6-17)9-18(2)13-12(15)7-11(14)8-16-13/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 316.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104924188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).