5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine

C13H12BrClN2O — CID 164858696

IUPAC5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(Br)cnc1N)c1ccccc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-8(10-4-2-3-5-11(10)15)18-12-6-9(14)7-17-13(12)16/h2-8H,1H3,(H2,16,17)/t8-/m1/s1
InChIKeyFNQVAHATVSKYHV-MRVPVSSYSA-N
MW327.61 g/mol
LogP4.22
Rot. Bonds3

About 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine

5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine (PubChem CID 164858696) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
PubChem CID164858696
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(Br)cnc1N)c1ccccc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-8(10-4-2-3-5-11(10)15)18-12-6-9(14)7-17-13(12)16/h2-8H,1H3,(H2,16,17)/t8-/m1/s1
InChIKeyFNQVAHATVSKYHV-MRVPVSSYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine (CID 164858696) is 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine is C[C@@H](Oc1cc(Br)cnc1N)c1ccccc1Cl.
What is the InChIKey of 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is FNQVAHATVSKYHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8(10-4-2-3-5-11(10)15)18-12-6-9(14)7-17-13(12)16/h2-8H,1H3,(H2,16,17)/t8-/m1/s1.
What are the key properties of 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine?
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 327.61 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 164858696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).