5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine

C15H14BrClFN3O — CID 59353190

IUPAC5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine
SMILESFc1ccc(Nc2cc(N3CCOCC3)c(Br)cn2)cc1Cl
InChIInChI=1S/C15H14BrClFN3O/c16-11-9-19-15(8-14(11)21-3-5-22-6-4-21)20-10-1-2-13(18)12(17)7-10/h1-2,7-9H,3-6H2,(H,19,20)
InChIKeyBDNHPPBJQIEPDN-UHFFFAOYSA-N
MW386.65 g/mol
LogP4.22
Rot. Bonds3

About 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine

5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine (PubChem CID 59353190) has the molecular formula C15H14BrClFN3O and a molecular weight of 386.65 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine
PubChem CID59353190
Molecular FormulaC15H14BrClFN3O
Molecular Weight386.65 g/mol
Exact Mass385.00
IUPAC Name5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine
SMILESFc1ccc(Nc2cc(N3CCOCC3)c(Br)cn2)cc1Cl
InChIInChI=1S/C15H14BrClFN3O/c16-11-9-19-15(8-14(11)21-3-5-22-6-4-21)20-10-1-2-13(18)12(17)7-10/h1-2,7-9H,3-6H2,(H,19,20)
InChIKeyBDNHPPBJQIEPDN-UHFFFAOYSA-N
XLogP4.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine (CID 59353190) is 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine is Fc1ccc(Nc2cc(N3CCOCC3)c(Br)cn2)cc1Cl.
What is the InChIKey of 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is BDNHPPBJQIEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN3O/c16-11-9-19-15(8-14(11)21-3-5-22-6-4-21)20-10-1-2-13(18)12(17)7-10/h1-2,7-9H,3-6H2,(H,19,20).
What are the key properties of 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine?
5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 386.65 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 59353190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).