3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid

C8H8F2N2O2 — CID 84670461

IUPAC3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cnc(C(F)F)cn1
InChIInChI=1S/C8H8F2N2O2/c9-8(10)6-4-11-5(3-12-6)1-2-7(13)14/h3-4,8H,1-2H2,(H,13,14)
InChIKeySVZYPUPHHKGORB-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.43
Rot. Bonds4

About 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid

3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid (PubChem CID 84670461) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
PubChem CID84670461
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cnc(C(F)F)cn1
InChIInChI=1S/C8H8F2N2O2/c9-8(10)6-4-11-5(3-12-6)1-2-7(13)14/h3-4,8H,1-2H2,(H,13,14)
InChIKeySVZYPUPHHKGORB-UHFFFAOYSA-N
XLogP1.43
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Pyrazinyl)propanoic acid
CID 17750931
2,5-Pyrazinedipropanoic acid
CID 21727526
2-Amino-3-(pyrazin-2-yl)propanoic acid
CID 23273557
4-(Pyrazin-2-yl)butanoic acid
CID 57696936
3-(Pyrazin-2-yl)propanoic acid hydrochloride
CID 155971169
Ethyl (2E)-2-hydroxyimino-3-pyrazin-2-YL-propanoate
CID 6399577
5-(2-Pyrazinyl)pentanoic acid
CID 22934386
(2S)-2-amino-3-(pyrazin-2-yl)propanoic acid
CID 23600245
3-(5-(Trifluoromethyl)pyrazin-2-YL)propanoic acid
CID 72212632
3-[6-(Difluoromethyl)pyrazin-2-yl]propanoic acid
CID 84670462
2,2-Difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol
CID 137467706
3-(5-Fluoro-4-oxidopyrazin-4-ium-2-yl)-2-methylpropanoic acid
CID 161955686

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid (CID 84670461) is 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid is O=C(O)CCc1cnc(C(F)F)cn1.
What is the InChIKey of 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
The InChIKey is SVZYPUPHHKGORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)6-4-11-5(3-12-6)1-2-7(13)14/h3-4,8H,1-2H2,(H,13,14).
What are the key properties of 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 84670461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).