(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine

C13H10BrF3N2O — CID 171247522

IUPAC(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C13H10BrF3N2O/c14-11-7-9(5-6-19-11)12(18)8-1-3-10(4-2-8)20-13(15,16)17/h1-7,12H,18H2/t12-/m1/s1
InChIKeyQHUHFEXJWJHRFV-GFCCVEGCSA-N
MW347.13 g/mol
LogP3.79
Rot. Bonds3

About (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine

(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171247522) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171247522
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C13H10BrF3N2O/c14-11-7-9(5-6-19-11)12(18)8-1-3-10(4-2-8)20-13(15,16)17/h1-7,12H,18H2/t12-/m1/s1
InChIKeyQHUHFEXJWJHRFV-GFCCVEGCSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.79
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

(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(S)-(6-bromo-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240762
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 171247522) is (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine is N[C@H](c1ccc(OC(F)(F)F)cc1)c1ccnc(Br)c1.
What is the InChIKey of (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is QHUHFEXJWJHRFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c14-11-7-9(5-6-19-11)12(18)8-1-3-10(4-2-8)20-13(15,16)17/h1-7,12H,18H2/t12-/m1/s1.
What are the key properties of (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 347.13 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171247522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).