5,7-difluoro-6-phenylmethoxy-1H-indazole

C14H10F2N2O — CID 163233496

IUPAC5,7-difluoro-6-phenylmethoxy-1H-indazole
SMILESFc1cc2cn[nH]c2c(F)c1OCc1ccccc1
InChIInChI=1S/C14H10F2N2O/c15-11-6-10-7-17-18-13(10)12(16)14(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyWELQJGXHVALVMS-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.42
Rot. Bonds3

About 5,7-difluoro-6-phenylmethoxy-1H-indazole

5,7-difluoro-6-phenylmethoxy-1H-indazole (PubChem CID 163233496) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 5,7-difluoro-6-phenylmethoxy-1H-indazole.

Molecular Properties

Compound Name5,7-difluoro-6-phenylmethoxy-1H-indazole
PubChem CID163233496
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name5,7-difluoro-6-phenylmethoxy-1H-indazole
SMILESFc1cc2cn[nH]c2c(F)c1OCc1ccccc1
InChIInChI=1S/C14H10F2N2O/c15-11-6-10-7-17-18-13(10)12(16)14(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyWELQJGXHVALVMS-UHFFFAOYSA-N
XLogP3.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
CID 14811705
5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
CID 137431617
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole
CID 163259451

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-phenylmethoxy-1H-indazole?
The IUPAC name of 5,7-difluoro-6-phenylmethoxy-1H-indazole (CID 163233496) is 5,7-difluoro-6-phenylmethoxy-1H-indazole.
What is the SMILES notation for 5,7-difluoro-6-phenylmethoxy-1H-indazole?
The canonical SMILES for 5,7-difluoro-6-phenylmethoxy-1H-indazole is Fc1cc2cn[nH]c2c(F)c1OCc1ccccc1.
What is the InChIKey of 5,7-difluoro-6-phenylmethoxy-1H-indazole?
The InChIKey is WELQJGXHVALVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-11-6-10-7-17-18-13(10)12(16)14(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 5,7-difluoro-6-phenylmethoxy-1H-indazole?
5,7-difluoro-6-phenylmethoxy-1H-indazole has a molecular weight of 260.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-phenylmethoxy-1H-indazole is sourced from PubChem (CID 163233496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).