2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine

C7H11F2N3 — CID 154333370

IUPAC2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)CC(F)F
InChIInChI=1S/C7H11F2N3/c8-6(9)4-7(11)5(10)2-1-3-12-7/h1-3,6,12H,4,10-11H2
InChIKeyOOAIOQMHHCOQGL-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine

2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine (PubChem CID 154333370) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine
PubChem CID154333370
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)CC(F)F
InChIInChI=1S/C7H11F2N3/c8-6(9)4-7(11)5(10)2-1-3-12-7/h1-3,6,12H,4,10-11H2
InChIKeyOOAIOQMHHCOQGL-UHFFFAOYSA-N
XLogP0.26
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine (CID 154333370) is 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine is NC1=CC=CNC1(N)CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine?
The InChIKey is OOAIOQMHHCOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-6(9)4-7(11)5(10)2-1-3-12-7/h1-3,6,12H,4,10-11H2.
What are the key properties of 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine?
2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine has a molecular weight of 175.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 154333370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).