[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine

C12H10BrClN2O — CID 115487175

IUPAC[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1ccc(Oc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C12H10BrClN2O/c13-8-1-4-12(11(14)5-8)17-10-3-2-9(6-15)16-7-10/h1-5,7H,6,15H2
InChIKeyCNYHWHQQGJZRDK-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.75
Rot. Bonds3

About [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine

[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine (PubChem CID 115487175) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
PubChem CID115487175
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1ccc(Oc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C12H10BrClN2O/c13-8-1-4-12(11(14)5-8)17-10-3-2-9(6-15)16-7-10/h1-5,7H,6,15H2
InChIKeyCNYHWHQQGJZRDK-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990811
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
CID 106748354
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
2-[(4-bromo-2-chlorophenoxy)methyl]prop-2-en-1-amine
CID 103066434
1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83123632
1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83124274
(1S)-1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123226

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine (CID 115487175) is [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine is NCc1ccc(Oc2ccc(Br)cc2Cl)cn1.
What is the InChIKey of [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is CNYHWHQQGJZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-8-1-4-12(11(14)5-8)17-10-3-2-9(6-15)16-7-10/h1-5,7H,6,15H2.
What are the key properties of [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine?
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine has a molecular weight of 313.58 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 115487175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).