3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C10H13BrF3N3 — CID 79534722

IUPAC3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCN(CC(F)(F)F)c1ncc(N)cc1Br
InChIInChI=1S/C10H13BrF3N3/c1-2-3-17(6-10(12,13)14)9-8(11)4-7(15)5-16-9/h4-5H,2-3,6,15H2,1H3
InChIKeyRYEHLFZKKWBBRP-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.20
Rot. Bonds4

About 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 79534722) has the molecular formula C10H13BrF3N3 and a molecular weight of 312.13 g/mol. Its IUPAC name is 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID79534722
Molecular FormulaC10H13BrF3N3
Molecular Weight312.13 g/mol
Exact Mass311.02
IUPAC Name3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCN(CC(F)(F)F)c1ncc(N)cc1Br
InChIInChI=1S/C10H13BrF3N3/c1-2-3-17(6-10(12,13)14)9-8(11)4-7(15)5-16-9/h4-5H,2-3,6,15H2,1H3
InChIKeyRYEHLFZKKWBBRP-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
5-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011243
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
4-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
5-methyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80815609
5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638351

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 79534722) is 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCCN(CC(F)(F)F)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is RYEHLFZKKWBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3/c1-2-3-17(6-10(12,13)14)9-8(11)4-7(15)5-16-9/h4-5H,2-3,6,15H2,1H3.
What are the key properties of 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 312.13 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79534722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).