[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine

C12H8BrClF2N2O — CID 107101094

IUPAC[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cc(Br)cc(F)c2F)ncc1Cl
InChIInChI=1S/C12H8BrClF2N2O/c13-7-2-9(15)12(16)10(3-7)19-11-1-6(4-17)8(14)5-18-11/h1-3,5H,4,17H2
InChIKeyHGEWWLFJOJNBEH-UHFFFAOYSA-N
MW349.56 g/mol
LogP4.03
Rot. Bonds3

About [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine

[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine (PubChem CID 107101094) has the molecular formula C12H8BrClF2N2O and a molecular weight of 349.56 g/mol. Its IUPAC name is [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
PubChem CID107101094
Molecular FormulaC12H8BrClF2N2O
Molecular Weight349.56 g/mol
Exact Mass347.95
IUPAC Name[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cc(Br)cc(F)c2F)ncc1Cl
InChIInChI=1S/C12H8BrClF2N2O/c13-7-2-9(15)12(16)10(3-7)19-11-1-6(4-17)8(14)5-18-11/h1-3,5H,4,17H2
InChIKeyHGEWWLFJOJNBEH-UHFFFAOYSA-N
XLogP4.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 54.03
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

[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107285585
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]methanol
CID 114920716
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 107097306
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine (CID 107101094) is [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine is NCc1cc(Oc2cc(Br)cc(F)c2F)ncc1Cl.
What is the InChIKey of [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine?
The InChIKey is HGEWWLFJOJNBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O/c13-7-2-9(15)12(16)10(3-7)19-11-1-6(4-17)8(14)5-18-11/h1-3,5H,4,17H2.
What are the key properties of [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine?
[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine has a molecular weight of 349.56 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 107101094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).