(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C11H8BrF3N2S — CID 102708183

IUPAC(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Br)s1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H8BrF3N2S/c12-9-2-1-8(18-9)10(16)6-5-17-4-3-7(6)11(13,14)15/h1-5,10H,16H2
InChIKeyHIVJEBLXVNCORU-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.97
Rot. Bonds2

About (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708183) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708183
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1ccc(Br)s1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H8BrF3N2S/c12-9-2-1-8(18-9)10(16)6-5-17-4-3-7(6)11(13,14)15/h1-5,10H,16H2
InChIKeyHIVJEBLXVNCORU-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102707963
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708183) is (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1ccc(Br)s1)c1cnccc1C(F)(F)F.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is HIVJEBLXVNCORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c12-9-2-1-8(18-9)10(16)6-5-17-4-3-7(6)11(13,14)15/h1-5,10H,16H2.
What are the key properties of (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 337.16 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).