[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine

C13H12BrFN2O — CID 63937782

IUPAC[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1OCc1ccccc1F
InChIInChI=1S/C13H12BrFN2O/c14-11-5-10(6-16)13(17-7-11)18-8-9-3-1-2-4-12(9)15/h1-5,7H,6,8,16H2
InChIKeyJWYQVBWUMZLBCE-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.02
Rot. Bonds4

About [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine

[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine (PubChem CID 63937782) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
PubChem CID63937782
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1OCc1ccccc1F
InChIInChI=1S/C13H12BrFN2O/c14-11-5-10(6-16)13(17-7-11)18-8-9-3-1-2-4-12(9)15/h1-5,7H,6,8,16H2
InChIKeyJWYQVBWUMZLBCE-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

[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
4-bromo-2-[(2-fluorophenyl)methoxy]pyridine
CID 124927405
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81439627
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine (CID 63937782) is [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine is NCc1cc(Br)cnc1OCc1ccccc1F.
What is the InChIKey of [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is JWYQVBWUMZLBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-11-5-10(6-16)13(17-7-11)18-8-9-3-1-2-4-12(9)15/h1-5,7H,6,8,16H2.
What are the key properties of [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine?
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-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 [5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 63937782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).