(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine

C13H11Br2ClN2O — CID 43125118

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)c1cncc(Br)c1
InChIInChI=1S/C13H11Br2ClN2O/c1-19-13-10(3-9(16)4-11(13)15)12(17)7-2-8(14)6-18-5-7/h2-6,12H,17H2,1H3
InChIKeyZBZPUFOWCZPBHA-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.32
Rot. Bonds3

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

(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine (PubChem CID 43125118) has the molecular formula C13H11Br2ClN2O and a molecular weight of 406.51 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine
PubChem CID43125118
Molecular FormulaC13H11Br2ClN2O
Molecular Weight406.51 g/mol
Exact Mass403.89
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)c1cncc(Br)c1
InChIInChI=1S/C13H11Br2ClN2O/c1-19-13-10(3-9(16)4-11(13)15)12(17)7-2-8(14)6-18-5-7/h2-6,12H,17H2,1H3
InChIKeyZBZPUFOWCZPBHA-UHFFFAOYSA-N
XLogP4.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400588
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine (CID 43125118) is (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine is COc1c(Br)cc(Cl)cc1C(N)c1cncc(Br)c1.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine?
The InChIKey is ZBZPUFOWCZPBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O/c1-19-13-10(3-9(16)4-11(13)15)12(17)7-2-8(14)6-18-5-7/h2-6,12H,17H2,1H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine?
(3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine has a molecular weight of 406.51 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(5-bromo-3-pyridinyl)methanamine is sourced from PubChem (CID 43125118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).