3-chloro-5-(difluoromethoxy)-2H-indazole

C8H5ClF2N2O — CID 76846077

IUPAC3-chloro-5-(difluoromethoxy)-2H-indazole
SMILESFC(F)Oc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C8H5ClF2N2O/c9-7-5-3-4(14-8(10)11)1-2-6(5)12-13-7/h1-3,8H,(H,12,13)
InChIKeyIRZDTMCTMCPGAZ-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.82
Rot. Bonds2

About 3-chloro-5-(difluoromethoxy)-2H-indazole

3-chloro-5-(difluoromethoxy)-2H-indazole (PubChem CID 76846077) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethoxy)-2H-indazole.

Molecular Properties

Compound Name3-chloro-5-(difluoromethoxy)-2H-indazole
PubChem CID76846077
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name3-chloro-5-(difluoromethoxy)-2H-indazole
SMILESFC(F)Oc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C8H5ClF2N2O/c9-7-5-3-4(14-8(10)11)1-2-6(5)12-13-7/h1-3,8H,(H,12,13)
InChIKeyIRZDTMCTMCPGAZ-UHFFFAOYSA-N
XLogP2.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethoxy)-1H-indazole-3-carboxylic acid;5-(difluoromethoxy)-3-iodo-2H-indazole
CID 157399877
4-bromo-6-(difluoromethoxy)quinoline
CID 114763893
4-chloro-6-(difluoromethoxy)-3-iodoquinoline
CID 102613994
4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
CID 63409240
9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine
CID 55187703
[6-(difluoromethoxy)quinolin-4-yl]hydrazine
CID 62251977
(3,4-dichlorophenyl) 3-chloro-2H-indazole-5-sulfonate
CID 22567348
5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
CID 156577917
O-[2-(3-chloro-2H-indazol-5-yl)ethyl]hydroxylamine
CID 117302286
3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one
CID 114759282
4-(difluoromethoxy)-2-(1H-pyrazol-5-yl)pyridine
CID 146279888
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethoxy)-2H-indazole?
The IUPAC name of 3-chloro-5-(difluoromethoxy)-2H-indazole (CID 76846077) is 3-chloro-5-(difluoromethoxy)-2H-indazole.
What is the SMILES notation for 3-chloro-5-(difluoromethoxy)-2H-indazole?
The canonical SMILES for 3-chloro-5-(difluoromethoxy)-2H-indazole is FC(F)Oc1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-(difluoromethoxy)-2H-indazole?
The InChIKey is IRZDTMCTMCPGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-7-5-3-4(14-8(10)11)1-2-6(5)12-13-7/h1-3,8H,(H,12,13).
What are the key properties of 3-chloro-5-(difluoromethoxy)-2H-indazole?
3-chloro-5-(difluoromethoxy)-2H-indazole has a molecular weight of 218.59 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethoxy)-2H-indazole is sourced from PubChem (CID 76846077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).