[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine

C13H12BrFN2O — CID 83231723

IUPAC[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1ccc(F)c(Br)c1
InChIInChI=1S/C13H12BrFN2O/c14-11-6-10(3-4-12(11)15)18-8-9-2-1-5-17-13(9)7-16/h1-6H,7-8,16H2
InChIKeyCPZUGRMLXCRPJU-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.02
Rot. Bonds4

About [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine

[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 83231723) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID83231723
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1ccc(F)c(Br)c1
InChIInChI=1S/C13H12BrFN2O/c14-11-6-10(3-4-12(11)15)18-8-9-2-1-5-17-13(9)7-16/h1-6H,7-8,16H2
InChIKeyCPZUGRMLXCRPJU-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895551
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
CID 83234987
2-[(3-bromo-4-fluorophenoxy)methyl]benzoic acid
CID 83233799
[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83050664
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine (CID 83231723) is [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine is NCc1ncccc1COc1ccc(F)c(Br)c1.
What is the InChIKey of [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is CPZUGRMLXCRPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-11-6-10(3-4-12(11)15)18-8-9-2-1-5-17-13(9)7-16/h1-6H,7-8,16H2.
What are the key properties of [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine?
[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 311.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 83231723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).