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

C7H5BrClF3N2O — CID 118807331

IUPAC[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C7H5BrClF3N2O/c8-5-3(2-13)1-4(14-6(5)9)15-7(10,11)12/h1H,2,13H2
InChIKeyFUHMUCWTIXQWOE-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.85
Rot. Bonds2

About [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine

[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 118807331) has the molecular formula C7H5BrClF3N2O and a molecular weight of 305.48 g/mol. Its IUPAC name is [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID118807331
Molecular FormulaC7H5BrClF3N2O
Molecular Weight305.48 g/mol
Exact Mass303.92
IUPAC Name[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C7H5BrClF3N2O/c8-5-3(2-13)1-4(14-6(5)9)15-7(10,11)12/h1H,2,13H2
InChIKeyFUHMUCWTIXQWOE-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

[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118846600
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 118807331) is [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1cc(OC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is FUHMUCWTIXQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF3N2O/c8-5-3(2-13)1-4(14-6(5)9)15-7(10,11)12/h1H,2,13H2.
What are the key properties of [3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-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-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 118807331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).