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

C13H12BrClN2O2 — CID 103568187

IUPAC[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C13H12BrClN2O2/c1-18-10-2-8(6-16)3-11(5-10)19-13-12(14)4-9(15)7-17-13/h2-5,7H,6,16H2,1H3
InChIKeySFKVRQKXMZHXRI-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.76
Rot. Bonds4

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

[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine (PubChem CID 103568187) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine
PubChem CID103568187
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C13H12BrClN2O2/c1-18-10-2-8(6-16)3-11(5-10)19-13-12(14)4-9(15)7-17-13/h2-5,7H,6,16H2,1H3
InChIKeySFKVRQKXMZHXRI-UHFFFAOYSA-N
XLogP3.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine (CID 103568187) is [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Oc2ncc(Cl)cc2Br)c1.
What is the InChIKey of [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine?
The InChIKey is SFKVRQKXMZHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-18-10-2-8(6-16)3-11(5-10)19-13-12(14)4-9(15)7-17-13/h2-5,7H,6,16H2,1H3.
What are the key properties of [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine?
[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine has a molecular weight of 343.61 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 103568187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).