5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid

C13H10F2N2O3 — CID 155286933

IUPAC5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
SMILESCc1nc(-c2ccc(OC(F)F)cc2)cnc1C(=O)O
InChIInChI=1S/C13H10F2N2O3/c1-7-11(12(18)19)16-6-10(17-7)8-2-4-9(5-3-8)20-13(14)15/h2-6,13H,1H3,(H,18,19)
InChIKeyCFXLHNBLUKERQG-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.75
Rot. Bonds4

About 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid

5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid (PubChem CID 155286933) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
PubChem CID155286933
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
SMILESCc1nc(-c2ccc(OC(F)F)cc2)cnc1C(=O)O
InChIInChI=1S/C13H10F2N2O3/c1-7-11(12(18)19)16-6-10(17-7)8-2-4-9(5-3-8)20-13(14)15/h2-6,13H,1H3,(H,18,19)
InChIKeyCFXLHNBLUKERQG-UHFFFAOYSA-N
XLogP2.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
CID 155287010
4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 90409767
4-[4-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 166273929
4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 90440285
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 171363837
5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
CID 43145511
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360741
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
CID 118435622

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid (CID 155286933) is 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid is Cc1nc(-c2ccc(OC(F)F)cc2)cnc1C(=O)O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid?
The InChIKey is CFXLHNBLUKERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c1-7-11(12(18)19)16-6-10(17-7)8-2-4-9(5-3-8)20-13(14)15/h2-6,13H,1H3,(H,18,19).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid?
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid has a molecular weight of 280.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 155286933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).