6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine

C13H12BrClN2O — CID 62886325

IUPAC6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrClN2O/c1-16-13-6-5-11(15)12(17-13)8-18-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyKOOXJKGJETUMMD-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.12
Rot. Bonds4

About 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine

6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 62886325) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
PubChem CID62886325
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrClN2O/c1-16-13-6-5-11(15)12(17-13)8-18-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyKOOXJKGJETUMMD-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62885480
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 63486730
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
CID 63487402
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654684
5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 63485313
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
[5-chloro-6-[(2,6-dibromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62887202
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
5-chloro-N-methyl-6-(2-methylpropoxymethyl)pyridin-2-amine
CID 62886167

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine (CID 62886325) is 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine is CNc1ccc(Cl)c(COc2cccc(Br)c2)n1.
What is the InChIKey of 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
The InChIKey is KOOXJKGJETUMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-16-13-6-5-11(15)12(17-13)8-18-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 327.61 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 62886325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).