2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine

C11H10BrF2N3 — CID 134202448

IUPAC2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2nn(CC(F)F)cc2Br)n1
InChIInChI=1S/C11H10BrF2N3/c1-7-3-2-4-9(15-7)11-8(12)5-17(16-11)6-10(13)14/h2-5,10H,6H2,1H3
InChIKeyZJTHGGWMFPKBDJ-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine

2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine (PubChem CID 134202448) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine
PubChem CID134202448
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2nn(CC(F)F)cc2Br)n1
InChIInChI=1S/C11H10BrF2N3/c1-7-3-2-4-9(15-7)11-8(12)5-17(16-11)6-10(13)14/h2-5,10H,6H2,1H3
InChIKeyZJTHGGWMFPKBDJ-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine?
The IUPAC name of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine (CID 134202448) is 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine is Cc1cccc(-c2nn(CC(F)F)cc2Br)n1.
What is the InChIKey of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine?
The InChIKey is ZJTHGGWMFPKBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c1-7-3-2-4-9(15-7)11-8(12)5-17(16-11)6-10(13)14/h2-5,10H,6H2,1H3.
What are the key properties of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine?
2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine has a molecular weight of 302.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-methylpyridine is sourced from PubChem (CID 134202448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).