(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

C13H9BrF4N2 — CID 107289316

IUPAC(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF4N2/c14-8-2-4-11(20-6-8)12(19)7-1-3-9(10(15)5-7)13(16,17)18/h1-6,12H,19H2
InChIKeyFRDCVXAMQUNNGA-UHFFFAOYSA-N
MW349.13 g/mol
LogP4.05
Rot. Bonds2

About (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 107289316) has the molecular formula C13H9BrF4N2 and a molecular weight of 349.13 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
PubChem CID107289316
Molecular FormulaC13H9BrF4N2
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC Name(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF4N2/c14-8-2-4-11(20-6-8)12(19)7-1-3-9(10(15)5-7)13(16,17)18/h1-6,12H,19H2
InChIKeyFRDCVXAMQUNNGA-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methanamine
CID 107978063
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 115606173
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine
CID 107288835
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
CID 115606070
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (CID 107289316) is (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FRDCVXAMQUNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2/c14-8-2-4-11(20-6-8)12(19)7-1-3-9(10(15)5-7)13(16,17)18/h1-6,12H,19H2.
What are the key properties of (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 349.13 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107289316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).