1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

C13H10BrF3N2 — CID 106942832

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H10BrF3N2/c1-18-13(10-5-2-7(15)6-19-10)11-9(16)4-3-8(14)12(11)17/h2-6,13,18H,1H3
InChIKeyKTWZEPQJKRNTDS-UHFFFAOYSA-N
MW331.14 g/mol
LogP3.57
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 106942832) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID106942832
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H10BrF3N2/c1-18-13(10-5-2-7(15)6-19-10)11-9(16)4-3-8(14)12(11)17/h2-6,13,18H,1H3
InChIKeyKTWZEPQJKRNTDS-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978022
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 106942434
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 106942954
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
N-[(3-bromo-2,6-difluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106944465
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083
N-[(3-bromo-2,6-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 106942502
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (CID 106942832) is 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is CNC(c1ccc(F)cn1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is KTWZEPQJKRNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c1-18-13(10-5-2-7(15)6-19-10)11-9(16)4-3-8(14)12(11)17/h2-6,13,18H,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 331.14 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 106942832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).