(4S)-2,4-difluoro-4H-pyridin-3-imine

C5H4F2N2 — CID 125183570

IUPAC(4S)-2,4-difluoro-4H-pyridin-3-imine
SMILES[H]/N=C1\C(F)=NC=C[C@@H]1F
InChIInChI=1S/C5H4F2N2/c6-3-1-2-9-5(7)4(3)8/h1-3,8H/b8-4-/t3-/m0/s1
InChIKeyFDGVLDPYBBJGDU-TVLFVMPKSA-N
MW130.10 g/mol
LogP1.24
Rot. Bonds

About (4S)-2,4-difluoro-4H-pyridin-3-imine

(4S)-2,4-difluoro-4H-pyridin-3-imine (PubChem CID 125183570) has the molecular formula C5H4F2N2 and a molecular weight of 130.10 g/mol. Its IUPAC name is (4S)-2,4-difluoro-4H-pyridin-3-imine.

Molecular Properties

Compound Name(4S)-2,4-difluoro-4H-pyridin-3-imine
PubChem CID125183570
Molecular FormulaC5H4F2N2
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(4S)-2,4-difluoro-4H-pyridin-3-imine
SMILES[H]/N=C1\C(F)=NC=C[C@@H]1F
InChIInChI=1S/C5H4F2N2/c6-3-1-2-9-5(7)4(3)8/h1-3,8H/b8-4-/t3-/m0/s1
InChIKeyFDGVLDPYBBJGDU-TVLFVMPKSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-difluoro-4H-pyridin-3-imine?
The IUPAC name of (4S)-2,4-difluoro-4H-pyridin-3-imine (CID 125183570) is (4S)-2,4-difluoro-4H-pyridin-3-imine.
What is the SMILES notation for (4S)-2,4-difluoro-4H-pyridin-3-imine?
The canonical SMILES for (4S)-2,4-difluoro-4H-pyridin-3-imine is [H]/N=C1\C(F)=NC=C[C@@H]1F.
What is the InChIKey of (4S)-2,4-difluoro-4H-pyridin-3-imine?
The InChIKey is FDGVLDPYBBJGDU-TVLFVMPKSA-N. The full InChI is InChI=1S/C5H4F2N2/c6-3-1-2-9-5(7)4(3)8/h1-3,8H/b8-4-/t3-/m0/s1.
What are the key properties of (4S)-2,4-difluoro-4H-pyridin-3-imine?
(4S)-2,4-difluoro-4H-pyridin-3-imine has a molecular weight of 130.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-difluoro-4H-pyridin-3-imine is sourced from PubChem (CID 125183570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).