5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine

C6H5BrF3N3O — CID 130093472

IUPAC5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine
SMILESNc1ncc(Br)c(OC(F)(F)F)c1N
InChIInChI=1S/C6H5BrF3N3O/c7-2-1-13-5(12)3(11)4(2)14-6(8,9)10/h1H,11H2,(H2,12,13)
InChIKeyGFHWEEQRYSJUBF-UHFFFAOYSA-N
MW272.02 g/mol
LogP1.91
Rot. Bonds1

About 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine

5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine (PubChem CID 130093472) has the molecular formula C6H5BrF3N3O and a molecular weight of 272.02 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine
PubChem CID130093472
Molecular FormulaC6H5BrF3N3O
Molecular Weight272.02 g/mol
Exact Mass270.96
IUPAC Name5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine
SMILESNc1ncc(Br)c(OC(F)(F)F)c1N
InChIInChI=1S/C6H5BrF3N3O/c7-2-1-13-5(12)3(11)4(2)14-6(8,9)10/h1H,11H2,(H2,12,13)
InChIKeyGFHWEEQRYSJUBF-UHFFFAOYSA-N
XLogP1.91
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073
5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
CID 118822184
5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131614647
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
6-amino-4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119014102
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine (CID 130093472) is 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine is Nc1ncc(Br)c(OC(F)(F)F)c1N.
What is the InChIKey of 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine?
The InChIKey is GFHWEEQRYSJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3N3O/c7-2-1-13-5(12)3(11)4(2)14-6(8,9)10/h1H,11H2,(H2,12,13).
What are the key properties of 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine?
5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine has a molecular weight of 272.02 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine is sourced from PubChem (CID 130093472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).