2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine

C12H9BrClFN2O — CID 114270896

IUPAC2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine
SMILESCc1ccc(N)c(Oc2cc(F)c(Br)cc2Cl)n1
InChIInChI=1S/C12H9BrClFN2O/c1-6-2-3-10(16)12(17-6)18-11-5-9(15)7(13)4-8(11)14/h2-5H,16H2,1H3
InChIKeyKDTXKEHFJRBEOW-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.32
Rot. Bonds2

About 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine

2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine (PubChem CID 114270896) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine
PubChem CID114270896
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine
SMILESCc1ccc(N)c(Oc2cc(F)c(Br)cc2Cl)n1
InChIInChI=1S/C12H9BrClFN2O/c1-6-2-3-10(16)12(17-6)18-11-5-9(15)7(13)4-8(11)14/h2-5H,16H2,1H3
InChIKeyKDTXKEHFJRBEOW-UHFFFAOYSA-N
XLogP4.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.32
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-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
CID 114270911
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
1-bromo-4-chloro-2-fluoro-5-(4-methoxyphenoxy)benzene
CID 90434539
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
6-methyl-2-phenoxypyridin-3-amine
CID 81131416
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine?
The IUPAC name of 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine (CID 114270896) is 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine.
What is the SMILES notation for 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine?
The canonical SMILES for 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine is Cc1ccc(N)c(Oc2cc(F)c(Br)cc2Cl)n1.
What is the InChIKey of 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine?
The InChIKey is KDTXKEHFJRBEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-6-2-3-10(16)12(17-6)18-11-5-9(15)7(13)4-8(11)14/h2-5H,16H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine?
2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine has a molecular weight of 331.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-5-fluorophenoxy)-6-methylpyridin-3-amine is sourced from PubChem (CID 114270896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).