5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine

C10H12BrF2N3 — CID 167713490

IUPAC5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
SMILESCc1nc(Br)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H12BrF2N3/c1-7-9(14-6-8(11)15-7)16-4-2-10(12,13)3-5-16/h6H,2-5H2,1H3
InChIKeyXNKGQRSVIHYZTH-UHFFFAOYSA-N
MW292.13 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine

5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine (PubChem CID 167713490) has the molecular formula C10H12BrF2N3 and a molecular weight of 292.13 g/mol. Its IUPAC name is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine.

Molecular Properties

Compound Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
PubChem CID167713490
Molecular FormulaC10H12BrF2N3
Molecular Weight292.13 g/mol
Exact Mass291.02
IUPAC Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
SMILESCc1nc(Br)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H12BrF2N3/c1-7-9(14-6-8(11)15-7)16-4-2-10(12,13)3-5-16/h6H,2-5H2,1H3
InChIKeyXNKGQRSVIHYZTH-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine
CID 170783971
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146525770
3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 177342514
2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
CID 142614244
5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 70671706
3,5-dibromo-2-piperidin-1-ylpyrazine
CID 87370742
2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
CID 162705309
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
CID 131093374
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
CID 131075383
methyl 2-(4,4-difluoroazepan-1-yl)-4,5-dimethylpyridine-3-carboxylate
CID 169124268

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine (CID 167713490) is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine.
What is the SMILES notation for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The canonical SMILES for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine is Cc1nc(Br)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The InChIKey is XNKGQRSVIHYZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N3/c1-7-9(14-6-8(11)15-7)16-4-2-10(12,13)3-5-16/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine has a molecular weight of 292.13 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine is sourced from PubChem (CID 167713490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).