[1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol

C9H10ClF2N3O — CID 121204085

IUPAC[1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1c1nccnc1Cl
InChIInChI=1S/C9H10ClF2N3O/c10-7-8(14-2-1-13-7)15-5-9(11,12)3-6(15)4-16/h1-2,6,16H,3-5H2
InChIKeyLNDCNNNLWVWIKF-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.34
Rot. Bonds2

About [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol

[1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 121204085) has the molecular formula C9H10ClF2N3O and a molecular weight of 249.65 g/mol. Its IUPAC name is [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID121204085
Molecular FormulaC9H10ClF2N3O
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name[1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1c1nccnc1Cl
InChIInChI=1S/C9H10ClF2N3O/c10-7-8(14-2-1-13-7)15-5-9(11,12)3-6(15)4-16/h1-2,6,16H,3-5H2
InChIKeyLNDCNNNLWVWIKF-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol (CID 121204085) is [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol is OCC1CC(F)(F)CN1c1nccnc1Cl.
What is the InChIKey of [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is LNDCNNNLWVWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O/c10-7-8(14-2-1-13-7)15-5-9(11,12)3-6(15)4-16/h1-2,6,16H,3-5H2.
What are the key properties of [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
[1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 249.65 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 121204085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).