5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine

C13H13BrN2O — CID 975708

IUPAC5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccccc1CNc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN2O/c1-17-12-5-3-2-4-10(12)8-15-13-7-6-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyHKGHNYOOQKHRKO-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.46
Rot. Bonds4

About 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine

5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 975708) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID975708
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccccc1CNc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN2O/c1-17-12-5-3-2-4-10(12)8-15-13-7-6-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyHKGHNYOOQKHRKO-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine (CID 975708) is 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine is COc1ccccc1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is HKGHNYOOQKHRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-12-5-3-2-4-10(12)8-15-13-7-6-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 293.16 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 975708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).