5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine

C15H15BrF3N3O — CID 135122445

IUPAC5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
SMILESCN(C)c1cc(Br)cnc1N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15BrF3N3O/c1-21(2)13-8-10(16)9-20-14(13)22(3)11-4-6-12(7-5-11)23-15(17,18)19/h4-9H,1-3H3
InChIKeyNRKPKWUZGIRIAW-UHFFFAOYSA-N
MW390.20 g/mol
LogP4.58
Rot. Bonds4

About 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine

5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine (PubChem CID 135122445) has the molecular formula C15H15BrF3N3O and a molecular weight of 390.20 g/mol. Its IUPAC name is 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
PubChem CID135122445
Molecular FormulaC15H15BrF3N3O
Molecular Weight390.20 g/mol
Exact Mass389.04
IUPAC Name5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
SMILESCN(C)c1cc(Br)cnc1N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15BrF3N3O/c1-21(2)13-8-10(16)9-20-14(13)22(3)11-4-6-12(7-5-11)23-15(17,18)19/h4-9H,1-3H3
InChIKeyNRKPKWUZGIRIAW-UHFFFAOYSA-N
XLogP4.58
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148526
2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118830517
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
CID 171121684
5-bromo-3-chloro-N-methyl-N-phenylpyridin-2-amine
CID 103583115
5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
CID 170994844
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
CID 115148547
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine (CID 135122445) is 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine is CN(C)c1cc(Br)cnc1N(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
The InChIKey is NRKPKWUZGIRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3N3O/c1-21(2)13-8-10(16)9-20-14(13)22(3)11-4-6-12(7-5-11)23-15(17,18)19/h4-9H,1-3H3.
What are the key properties of 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine?
5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine has a molecular weight of 390.20 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 135122445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).