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

C7H5BrF4N2O — CID 131571679

IUPAC[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(Br)nc(F)c1OC(F)(F)F
InChIInChI=1S/C7H5BrF4N2O/c8-4-1-3(2-13)5(6(9)14-4)15-7(10,11)12/h1H,2,13H2
InChIKeyBDGCVOQOQPKTNO-UHFFFAOYSA-N
MW289.03 g/mol
LogP2.34
Rot. Bonds2

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

[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 131571679) has the molecular formula C7H5BrF4N2O and a molecular weight of 289.03 g/mol. Its IUPAC name is [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID131571679
Molecular FormulaC7H5BrF4N2O
Molecular Weight289.03 g/mol
Exact Mass287.95
IUPAC Name[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(Br)nc(F)c1OC(F)(F)F
InChIInChI=1S/C7H5BrF4N2O/c8-4-1-3(2-13)5(6(9)14-4)15-7(10,11)12/h1H,2,13H2
InChIKeyBDGCVOQOQPKTNO-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 52.34
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

[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086177
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
5-(aminomethyl)-6-bromo-2-(trifluoromethoxy)pyridin-3-amine
CID 131631616
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 131571679) is [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1cc(Br)nc(F)c1OC(F)(F)F.
What is the InChIKey of [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is BDGCVOQOQPKTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF4N2O/c8-4-1-3(2-13)5(6(9)14-4)15-7(10,11)12/h1H,2,13H2.
What are the key properties of [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine?
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 289.03 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 131571679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).