6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C12H11BrF3N3S — CID 106043006

IUPAC6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C12H11BrF3N3S/c13-9-2-1-8(20-9)3-4-18-11-6-7(12(14,15)16)5-10(17)19-11/h1-2,5-6H,3-4H2,(H3,17,18,19)
InChIKeyRJGCOKOUYMFPAX-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.16
Rot. Bonds4

About 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 106043006) has the molecular formula C12H11BrF3N3S and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID106043006
Molecular FormulaC12H11BrF3N3S
Molecular Weight366.21 g/mol
Exact Mass364.98
IUPAC Name6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C12H11BrF3N3S/c13-9-2-1-8(20-9)3-4-18-11-6-7(12(14,15)16)5-10(17)19-11/h1-2,5-6H,3-4H2,(H3,17,18,19)
InChIKeyRJGCOKOUYMFPAX-UHFFFAOYSA-N
XLogP4.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 114139531
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
4-N-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565194
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 65491992
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
CID 106044050
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 106044018
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 106043006) is 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(NCCc2ccc(Br)s2)n1.
What is the InChIKey of 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is RJGCOKOUYMFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3S/c13-9-2-1-8(20-9)3-4-18-11-6-7(12(14,15)16)5-10(17)19-11/h1-2,5-6H,3-4H2,(H3,17,18,19).
What are the key properties of 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 366.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 106043006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).