1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine

C13H10Br2ClFN2 — CID 105395458

IUPAC1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1Cl)c1ncc(Br)cc1Br
InChIInChI=1S/C13H10Br2ClFN2/c1-18-12(9-5-8(17)2-3-11(9)16)13-10(15)4-7(14)6-19-13/h2-6,12,18H,1H3
InChIKeyAZVGJVQWENDSMP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.71
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine

1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine (PubChem CID 105395458) has the molecular formula C13H10Br2ClFN2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine
PubChem CID105395458
Molecular FormulaC13H10Br2ClFN2
Molecular Weight408.50 g/mol
Exact Mass405.89
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1Cl)c1ncc(Br)cc1Br
InChIInChI=1S/C13H10Br2ClFN2/c1-18-12(9-5-8(17)2-3-11(9)16)13-10(15)4-7(14)6-19-13/h2-6,12,18H,1H3
InChIKeyAZVGJVQWENDSMP-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(3,5-dichloro-2-pyridinyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79780074
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
[(4-chlorophenyl)-(3,5-dibromo-2-pyridinyl)methyl]hydrazine
CID 105268377
1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
CID 106645889
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 113398604
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482882

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine (CID 105395458) is 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine is CNC(c1cc(F)ccc1Cl)c1ncc(Br)cc1Br.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine?
The InChIKey is AZVGJVQWENDSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClFN2/c1-18-12(9-5-8(17)2-3-11(9)16)13-10(15)4-7(14)6-19-13/h2-6,12,18H,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine?
1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine has a molecular weight of 408.50 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105395458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).