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

C7H5BrClF3N2O — CID 131527147

IUPAC[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncc(OC(F)(F)F)c(Cl)c1Br
InChIInChI=1S/C7H5BrClF3N2O/c8-5-3(1-13)14-2-4(6(5)9)15-7(10,11)12/h2H,1,13H2
InChIKeyFHBDSRANDOZQBM-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.85
Rot. Bonds2

About [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine

[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 131527147) has the molecular formula C7H5BrClF3N2O and a molecular weight of 305.48 g/mol. Its IUPAC name is [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID131527147
Molecular FormulaC7H5BrClF3N2O
Molecular Weight305.48 g/mol
Exact Mass303.92
IUPAC Name[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncc(OC(F)(F)F)c(Cl)c1Br
InChIInChI=1S/C7H5BrClF3N2O/c8-5-3(1-13)14-2-4(6(5)9)15-7(10,11)12/h2H,1,13H2
InChIKeyFHBDSRANDOZQBM-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

Analyze [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
CID 130093759
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 131527147) is [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1ncc(OC(F)(F)F)c(Cl)c1Br.
What is the InChIKey of [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is FHBDSRANDOZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF3N2O/c8-5-3(1-13)14-2-4(6(5)9)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
[3-bromo-4-chloro-5-(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 [3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 131527147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).