[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H5BrClF3N2O — CID 131607923

IUPAC[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)c(Br)c(Cl)n1
InChIInChI=1S/C7H5BrClF3N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H,2,13H2
InChIKeyAAHLEZLMCNHCIF-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.85
Rot. Bonds2

About [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine

[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 131607923) has the molecular formula C7H5BrClF3N2O and a molecular weight of 305.48 g/mol. Its IUPAC name is [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID131607923
Molecular FormulaC7H5BrClF3N2O
Molecular Weight305.48 g/mol
Exact Mass303.92
IUPAC Name[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)c(Br)c(Cl)n1
InChIInChI=1S/C7H5BrClF3N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H,2,13H2
InChIKeyAAHLEZLMCNHCIF-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130093865
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 131607923) is [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1cc(OC(F)(F)F)c(Br)c(Cl)n1.
What is the InChIKey of [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is AAHLEZLMCNHCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF3N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H,2,13H2.
What are the key properties of [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 305.48 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 131607923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).