3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C15H15BrClN3O — CID 114837087

IUPAC3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESClc1cnc(Nc2ccc(N3CCOCC3)cc2)c(Br)c1
InChIInChI=1S/C15H15BrClN3O/c16-14-9-11(17)10-18-15(14)19-12-1-3-13(4-2-12)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyOAGHMOBXJIYDAK-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.08
Rot. Bonds3

About 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 114837087) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID114837087
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESClc1cnc(Nc2ccc(N3CCOCC3)cc2)c(Br)c1
InChIInChI=1S/C15H15BrClN3O/c16-14-9-11(17)10-18-15(14)19-12-1-3-13(4-2-12)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyOAGHMOBXJIYDAK-UHFFFAOYSA-N
XLogP4.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
3-bromo-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 114836561
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
4-bromo-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68613505
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 114837087) is 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Clc1cnc(Nc2ccc(N3CCOCC3)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is OAGHMOBXJIYDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c16-14-9-11(17)10-18-15(14)19-12-1-3-13(4-2-12)20-5-7-21-8-6-20/h1-4,9-10H,5-8H2,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 368.66 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 114837087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).