1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine

C13H11BrF2N2O — CID 107099915

IUPAC1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(Oc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C13H11BrF2N2O/c1-7(17)8-2-3-18-12(4-8)19-11-6-9(14)5-10(15)13(11)16/h2-7H,17H2,1H3
InChIKeyITMFCLYDXUKUTA-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.93
Rot. Bonds3

About 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine

1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine (PubChem CID 107099915) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
PubChem CID107099915
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(Oc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C13H11BrF2N2O/c1-7(17)8-2-3-18-12(4-8)19-11-6-9(14)5-10(15)13(11)16/h2-7H,17H2,1H3
InChIKeyITMFCLYDXUKUTA-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.93
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

(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
1-[4-bromo-2-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099987
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine (CID 107099915) is 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine is CC(N)c1ccnc(Oc2cc(Br)cc(F)c2F)c1.
What is the InChIKey of 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine?
The InChIKey is ITMFCLYDXUKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c1-7(17)8-2-3-18-12(4-8)19-11-6-9(14)5-10(15)13(11)16/h2-7H,17H2,1H3.
What are the key properties of 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine?
1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine has a molecular weight of 329.14 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 107099915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).