5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine

C12H12BrFN2O — CID 104924001

IUPAC5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
SMILESCc1occc1CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C12H12BrFN2O/c1-8-9(3-4-17-8)7-16(2)12-11(14)5-10(13)6-15-12/h3-6H,7H2,1-2H3
InChIKeyJGXSJJYYCZNQKQ-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.52
Rot. Bonds3

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

5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine (PubChem CID 104924001) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
PubChem CID104924001
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
SMILESCc1occc1CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C12H12BrFN2O/c1-8-9(3-4-17-8)7-16(2)12-11(14)5-10(13)6-15-12/h3-6H,7H2,1-2H3
InChIKeyJGXSJJYYCZNQKQ-UHFFFAOYSA-N
XLogP3.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.52
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-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine (CID 104924001) is 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine is Cc1occc1CN(C)c1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
The InChIKey is JGXSJJYYCZNQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-8-9(3-4-17-8)7-16(2)12-11(14)5-10(13)6-15-12/h3-6H,7H2,1-2H3.
What are the key properties of 5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine has a molecular weight of 299.14 g/mol, XLogP of 3.52, 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-[(2-methylfuran-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104924001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).