6-bromo-1-(difluoromethyl)-3-methylindazole

C9H7BrF2N2 — CID 167719149

IUPAC6-bromo-1-(difluoromethyl)-3-methylindazole
SMILESCc1nn(C(F)F)c2cc(Br)ccc12
InChIInChI=1S/C9H7BrF2N2/c1-5-7-3-2-6(10)4-8(7)14(13-5)9(11)12/h2-4,9H,1H3
InChIKeyXYSOLMAJYJBJJD-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.50
Rot. Bonds1

About 6-bromo-1-(difluoromethyl)-3-methylindazole

6-bromo-1-(difluoromethyl)-3-methylindazole (PubChem CID 167719149) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-bromo-1-(difluoromethyl)-3-methylindazole.

Molecular Properties

Compound Name6-bromo-1-(difluoromethyl)-3-methylindazole
PubChem CID167719149
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name6-bromo-1-(difluoromethyl)-3-methylindazole
SMILESCc1nn(C(F)F)c2cc(Br)ccc12
InChIInChI=1S/C9H7BrF2N2/c1-5-7-3-2-6(10)4-8(7)14(13-5)9(11)12/h2-4,9H,1H3
InChIKeyXYSOLMAJYJBJJD-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(difluoromethyl)-3-methylindazole?
The IUPAC name of 6-bromo-1-(difluoromethyl)-3-methylindazole (CID 167719149) is 6-bromo-1-(difluoromethyl)-3-methylindazole.
What is the SMILES notation for 6-bromo-1-(difluoromethyl)-3-methylindazole?
The canonical SMILES for 6-bromo-1-(difluoromethyl)-3-methylindazole is Cc1nn(C(F)F)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(difluoromethyl)-3-methylindazole?
The InChIKey is XYSOLMAJYJBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-5-7-3-2-6(10)4-8(7)14(13-5)9(11)12/h2-4,9H,1H3.
What are the key properties of 6-bromo-1-(difluoromethyl)-3-methylindazole?
6-bromo-1-(difluoromethyl)-3-methylindazole has a molecular weight of 261.07 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(difluoromethyl)-3-methylindazole is sourced from PubChem (CID 167719149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).