[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine

C12H10BrClN2O — CID 82797816

IUPAC[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2cncc(Cl)c2)c(Br)c1
InChIInChI=1S/C12H10BrClN2O/c13-11-3-8(5-15)1-2-12(11)17-10-4-9(14)6-16-7-10/h1-4,6-7H,5,15H2
InChIKeyNELAVMJQODMOLS-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.75
Rot. Bonds3

About [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine

[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine (PubChem CID 82797816) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
PubChem CID82797816
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2cncc(Cl)c2)c(Br)c1
InChIInChI=1S/C12H10BrClN2O/c13-11-3-8(5-15)1-2-12(11)17-10-4-9(14)6-16-7-10/h1-4,6-7H,5,15H2
InChIKeyNELAVMJQODMOLS-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

(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
CID 64600412
N-[1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethyl]propan-1-amine
CID 64600607
[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
3-[4-bromo-5-[(5-chloro-3-pyridinyl)oxy]-2-nitrophenoxy]-5-chloropyridine
CID 2801118
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine (CID 82797816) is [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine is NCc1ccc(Oc2cncc(Cl)c2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is NELAVMJQODMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-11-3-8(5-15)1-2-12(11)17-10-4-9(14)6-16-7-10/h1-4,6-7H,5,15H2.
What are the key properties of [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine?
[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]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 [3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 82797816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).