3-(2,2-difluoroethyl)pyridine-2,5-diamine

C7H9F2N3 — CID 175477968

IUPAC3-(2,2-difluoroethyl)pyridine-2,5-diamine
SMILESNc1cnc(N)c(CC(F)F)c1
InChIInChI=1S/C7H9F2N3/c8-6(9)2-4-1-5(10)3-12-7(4)11/h1,3,6H,2,10H2,(H2,11,12)
InChIKeyJDTQXHYFBDLXCN-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.05
Rot. Bonds2

About 3-(2,2-difluoroethyl)pyridine-2,5-diamine

3-(2,2-difluoroethyl)pyridine-2,5-diamine (PubChem CID 175477968) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)pyridine-2,5-diamine
PubChem CID175477968
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name3-(2,2-difluoroethyl)pyridine-2,5-diamine
SMILESNc1cnc(N)c(CC(F)F)c1
InChIInChI=1S/C7H9F2N3/c8-6(9)2-4-1-5(10)3-12-7(4)11/h1,3,6H,2,10H2,(H2,11,12)
InChIKeyJDTQXHYFBDLXCN-UHFFFAOYSA-N
XLogP1.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 3-(2,2-difluoroethyl)pyridine-2,5-diamine (CID 175477968) is 3-(2,2-difluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-(2,2-difluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-(2,2-difluoroethyl)pyridine-2,5-diamine is Nc1cnc(N)c(CC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethyl)pyridine-2,5-diamine?
The InChIKey is JDTQXHYFBDLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-6(9)2-4-1-5(10)3-12-7(4)11/h1,3,6H,2,10H2,(H2,11,12).
What are the key properties of 3-(2,2-difluoroethyl)pyridine-2,5-diamine?
3-(2,2-difluoroethyl)pyridine-2,5-diamine has a molecular weight of 173.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 175477968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).