6-(difluoromethoxy)-1H-indazole

C8H6F2N2O — CID 90830445

IUPAC6-(difluoromethoxy)-1H-indazole
SMILESFC(F)Oc1ccc2cn[nH]c2c1
InChIInChI=1S/C8H6F2N2O/c9-8(10)13-6-2-1-5-4-11-12-7(5)3-6/h1-4,8H,(H,11,12)
InChIKeyPVYHGIUXZPBCKB-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.16
Rot. Bonds2

About 6-(difluoromethoxy)-1H-indazole

6-(difluoromethoxy)-1H-indazole (PubChem CID 90830445) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-1H-indazole
PubChem CID90830445
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name6-(difluoromethoxy)-1H-indazole
SMILESFC(F)Oc1ccc2cn[nH]c2c1
InChIInChI=1S/C8H6F2N2O/c9-8(10)13-6-2-1-5-4-11-12-7(5)3-6/h1-4,8H,(H,11,12)
InChIKeyPVYHGIUXZPBCKB-UHFFFAOYSA-N
XLogP2.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-1H-indazole
CID 135483987
5-Methoxy-1H-indazole
CID 13346860
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
4-Methoxy-1H-indazole
CID 24729333
1H-indazol-4-ol
CID 135742450
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
6-Methoxy-1H-indazole
CID 12639202
5-Bromo-6-methoxy-1H-indazole
CID 15278593
N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxyindazol-1-amine;hydrochloride
CID 24882016
6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645465
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1H-indazole?
The IUPAC name of 6-(difluoromethoxy)-1H-indazole (CID 90830445) is 6-(difluoromethoxy)-1H-indazole.
What is the SMILES notation for 6-(difluoromethoxy)-1H-indazole?
The canonical SMILES for 6-(difluoromethoxy)-1H-indazole is FC(F)Oc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-(difluoromethoxy)-1H-indazole?
The InChIKey is PVYHGIUXZPBCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)13-6-2-1-5-4-11-12-7(5)3-6/h1-4,8H,(H,11,12).
What are the key properties of 6-(difluoromethoxy)-1H-indazole?
6-(difluoromethoxy)-1H-indazole has a molecular weight of 184.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1H-indazole is sourced from PubChem (CID 90830445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).