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

C13H12BrClN2O — CID 170429171

IUPAC5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(Br)cnc1N)c1cccc(Cl)c1
InChIInChI=1S/C13H12BrClN2O/c1-8(9-3-2-4-11(15)5-9)18-12-6-10(14)7-17-13(12)16/h2-8H,1H3,(H2,16,17)
InChIKeyFCGAGAXHPVEPJN-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.22
Rot. Bonds3

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

5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine (PubChem CID 170429171) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
PubChem CID170429171
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(Br)cnc1N)c1cccc(Cl)c1
InChIInChI=1S/C13H12BrClN2O/c1-8(9-3-2-4-11(15)5-9)18-12-6-10(14)7-17-13(12)16/h2-8H,1H3,(H2,16,17)
InChIKeyFCGAGAXHPVEPJN-UHFFFAOYSA-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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Related Compounds

5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
CID 164859806
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 118555269
5-bromo-3-[1-(1,3-thiazol-2-yl)ethoxy]pyridin-2-amine
CID 170429449
5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
CID 164859055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine (CID 170429171) is 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine is CC(Oc1cc(Br)cnc1N)c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is FCGAGAXHPVEPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8(9-3-2-4-11(15)5-9)18-12-6-10(14)7-17-13(12)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine?
5-bromo-3-[1-(3-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-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 170429171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).