4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine

C10H10F2N4 — CID 90209606

IUPAC4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine
SMILESCC(F)(F)c1nccn1-c1ccncc1N
InChIInChI=1S/C10H10F2N4/c1-10(11,12)9-15-4-5-16(9)8-2-3-14-6-7(8)13/h2-6H,13H2,1H3
InChIKeyOZMZUIRRBKORBS-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.96
Rot. Bonds2

About 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine

4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine (PubChem CID 90209606) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine
PubChem CID90209606
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine
SMILESCC(F)(F)c1nccn1-c1ccncc1N
InChIInChI=1S/C10H10F2N4/c1-10(11,12)9-15-4-5-16(9)8-2-3-14-6-7(8)13/h2-6H,13H2,1H3
InChIKeyOZMZUIRRBKORBS-UHFFFAOYSA-N
XLogP1.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine?
The IUPAC name of 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine (CID 90209606) is 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine is CC(F)(F)c1nccn1-c1ccncc1N.
What is the InChIKey of 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine?
The InChIKey is OZMZUIRRBKORBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-10(11,12)9-15-4-5-16(9)8-2-3-14-6-7(8)13/h2-6H,13H2,1H3.
What are the key properties of 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine?
4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine has a molecular weight of 224.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-difluoroethyl)imidazol-1-yl]pyridin-3-amine is sourced from PubChem (CID 90209606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).