2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine

C12H10BrClN2O — CID 107283340

IUPAC2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
SMILESCc1ccc(Br)cc1Oc1nc(Cl)ccc1N
InChIInChI=1S/C12H10BrClN2O/c1-7-2-3-8(13)6-10(7)17-12-9(15)4-5-11(14)16-12/h2-6H,15H2,1H3
InChIKeyWECIWPQKTZJGKW-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.18
Rot. Bonds2

About 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine

2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine (PubChem CID 107283340) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
PubChem CID107283340
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
SMILESCc1ccc(Br)cc1Oc1nc(Cl)ccc1N
InChIInChI=1S/C12H10BrClN2O/c1-7-2-3-8(13)6-10(7)17-12-9(15)4-5-11(14)16-12/h2-6H,15H2,1H3
InChIKeyWECIWPQKTZJGKW-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
2-(3-bromophenoxy)-6-chloropyridin-3-amine
CID 115474432
6-(5-bromo-2-methylphenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 107283325
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
4-bromo-2-(4-chloro-2,6-dimethylphenoxy)aniline
CID 65342585
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 115474547
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine (CID 107283340) is 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine is Cc1ccc(Br)cc1Oc1nc(Cl)ccc1N.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine?
The InChIKey is WECIWPQKTZJGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-2-3-8(13)6-10(7)17-12-9(15)4-5-11(14)16-12/h2-6H,15H2,1H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine?
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine 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-2-methylphenoxy)-6-chloropyridin-3-amine is sourced from PubChem (CID 107283340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).