2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine

C10H8BrF2N3O — CID 162760811

IUPAC2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine
SMILESCn1cc(Br)c(-c2ccc(OC(F)F)cn2)n1
InChIInChI=1S/C10H8BrF2N3O/c1-16-5-7(11)9(15-16)8-3-2-6(4-14-8)17-10(12)13/h2-5,10H,1H3
InChIKeyFAWPUBMQUHQALH-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine

2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine (PubChem CID 162760811) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine
PubChem CID162760811
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine
SMILESCn1cc(Br)c(-c2ccc(OC(F)F)cn2)n1
InChIInChI=1S/C10H8BrF2N3O/c1-16-5-7(11)9(15-16)8-3-2-6(4-14-8)17-10(12)13/h2-5,10H,1H3
InChIKeyFAWPUBMQUHQALH-UHFFFAOYSA-N
XLogP2.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine (CID 162760811) is 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine is Cn1cc(Br)c(-c2ccc(OC(F)F)cn2)n1.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine?
The InChIKey is FAWPUBMQUHQALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c1-16-5-7(11)9(15-16)8-3-2-6(4-14-8)17-10(12)13/h2-5,10H,1H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine?
2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine has a molecular weight of 304.09 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine is sourced from PubChem (CID 162760811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).