5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole

C10H9BrF2N2 — CID 69058608

IUPAC5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole
SMILESFC1=CC=CC(F)C1Cn1nccc1Br
InChIInChI=1S/C10H9BrF2N2/c11-10-4-5-14-15(10)6-7-8(12)2-1-3-9(7)13/h1-5,7-8H,6H2
InChIKeySXZVHYJLXABFSN-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.02
Rot. Bonds2

About 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole

5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole (PubChem CID 69058608) has the molecular formula C10H9BrF2N2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole
PubChem CID69058608
Molecular FormulaC10H9BrF2N2
Molecular Weight275.10 g/mol
Exact Mass273.99
IUPAC Name5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole
SMILESFC1=CC=CC(F)C1Cn1nccc1Br
InChIInChI=1S/C10H9BrF2N2/c11-10-4-5-14-15(10)6-7-8(12)2-1-3-9(7)13/h1-5,7-8H,6H2
InChIKeySXZVHYJLXABFSN-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole?
The IUPAC name of 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole (CID 69058608) is 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole.
What is the SMILES notation for 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole?
The canonical SMILES for 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole is FC1=CC=CC(F)C1Cn1nccc1Br.
What is the InChIKey of 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole?
The InChIKey is SXZVHYJLXABFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2/c11-10-4-5-14-15(10)6-7-8(12)2-1-3-9(7)13/h1-5,7-8H,6H2.
What are the key properties of 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole?
5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole has a molecular weight of 275.10 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole is sourced from PubChem (CID 69058608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).