2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine

C9H10ClF2N3 — CID 129499164

IUPAC2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine
SMILESFC(F)[C@H]1CCN(c2nccnc2Cl)C1
InChIInChI=1S/C9H10ClF2N3/c10-7-9(14-3-2-13-7)15-4-1-6(5-15)8(11)12/h2-3,6,8H,1,4-5H2/t6-/m0/s1
InChIKeyRLAZJEULPFTFPN-LURJTMIESA-N
MW233.65 g/mol
LogP2.22
Rot. Bonds2

About 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine

2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine (PubChem CID 129499164) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine
PubChem CID129499164
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine
SMILESFC(F)[C@H]1CCN(c2nccnc2Cl)C1
InChIInChI=1S/C9H10ClF2N3/c10-7-9(14-3-2-13-7)15-4-1-6(5-15)8(11)12/h2-3,6,8H,1,4-5H2/t6-/m0/s1
InChIKeyRLAZJEULPFTFPN-LURJTMIESA-N
XLogP2.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine
CID 129498626
2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
CID 121201202
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
CID 129498833
(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
CID 129495606
2-[3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121201168
2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129499940
2-[3-(difluoromethyl)pyrrolidin-1-yl]-3-ethylsulfonylpyridine
CID 154780352
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171427
2-[(3R)-3-(difluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129493941
3-[3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1,2,4-triazole
CID 141381930
2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine
CID 121201431
2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine
CID 121201368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine (CID 129499164) is 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine is FC(F)[C@H]1CCN(c2nccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is RLAZJEULPFTFPN-LURJTMIESA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-7-9(14-3-2-13-7)15-4-1-6(5-15)8(11)12/h2-3,6,8H,1,4-5H2/t6-/m0/s1.
What are the key properties of 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine?
2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 233.65 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 129499164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).