[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine

C12H9BrF2N2O — CID 107097306

IUPAC[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1ncccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C12H9BrF2N2O/c13-7-4-8(14)12(15)11(5-7)18-10-2-1-3-17-9(10)6-16/h1-5H,6,16H2
InChIKeyBBSPFOATCMZETB-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.37
Rot. Bonds3

About [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine

[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine (PubChem CID 107097306) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
PubChem CID107097306
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1ncccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C12H9BrF2N2O/c13-7-4-8(14)12(15)11(5-7)18-10-2-1-3-17-9(10)6-16/h1-5H,6,16H2
InChIKeyBBSPFOATCMZETB-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2,3-difluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136860116
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
2-[3-(5-bromo-2,3-difluorophenoxy)propoxy]aniline
CID 107097705
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
2-[4-(5-bromo-2,3-difluorophenoxy)-3-fluorophenyl]ethanamine
CID 107102021
[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828357
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107101094
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine (CID 107097306) is [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine is NCc1ncccc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is BBSPFOATCMZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c13-7-4-8(14)12(15)11(5-7)18-10-2-1-3-17-9(10)6-16/h1-5H,6,16H2.
What are the key properties of [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine?
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine has a molecular weight of 315.12 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 107097306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).