2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline

C12H10BrClN2O — CID 103582678

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
SMILESCc1ccc(Oc2ncc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C12H10BrClN2O/c1-7-2-3-11(10(15)4-7)17-12-9(14)5-8(13)6-16-12/h2-6H,15H2,1H3
InChIKeyILJINQGTEMPYOE-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.18
Rot. Bonds2

About 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline

2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline (PubChem CID 103582678) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
PubChem CID103582678
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
SMILESCc1ccc(Oc2ncc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C12H10BrClN2O/c1-7-2-3-11(10(15)4-7)17-12-9(14)5-8(13)6-16-12/h2-6H,15H2,1H3
InChIKeyILJINQGTEMPYOE-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
5-bromo-2-(2,4-dichlorophenoxy)pyridin-3-amine
CID 61228293
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline (CID 103582678) is 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline is Cc1ccc(Oc2ncc(Br)cc2Cl)c(N)c1.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline?
The InChIKey is ILJINQGTEMPYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-2-3-11(10(15)4-7)17-12-9(14)5-8(13)6-16-12/h2-6H,15H2,1H3.
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline?
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline has a molecular weight of 313.58 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline is sourced from PubChem (CID 103582678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).